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6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile structure
Fine Chemical

6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

TL;DR: 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (CAS 1005622-58-1) is a chemical compound with molecular formula C21H17F5N6O and molecular weight 464.1384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

Also Known As: 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-AMINO-3-(1,1,2,2,2-PENTAFLUOROETHYL)-1-PHENYL-4-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)-1,4-DIHYDROPYRANO[2,3-C]PYRAZOL-5-YL CYANIDE, 6-amino-3-(pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

CAS Number
1005622-58-1
Molecular Formula
C21H17F5N6O
Molecular Weight
464.1384 g/mol
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Technical Specifications

Molecular FormulaC21H17F5N6O
Molecular Weight464.1384 g/mol
XLogP4.3
Topological Polar Surface Area (TPSA)94.7 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors10
Rotatable Bonds3
Exact Mass464.1384 Da
Heavy Atoms33
Complexity835.0
SMILESCC1=C(C(=NN1C)C)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C(C(F)(F)F)(F)F)N)C#N
InChIKeyGGQQSOYBUGEQKS-UHFFFAOYSA-N

Chemical Property Profile of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

XLogP
4.3
TPSA (Topological Polar Surface Area)
94.7
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
10
Rotatable Bonds
3
Heavy Atoms
33
Complexity
835.0
Exact Mass
464.1384
Monoisotopic Mass
464.1384
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

The XLogP value of 4.3 indicates that 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile. Following Lipinski's Rule of Five, 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile?

The CAS number of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is 1005622-58-1.

What is the molecular formula of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile?

The molecular formula of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is C21H17F5N6O.

What is the molecular weight of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile?

The molecular weight of 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile is 464.1384 g/mol.

Where can I buy 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile?

You can request a quote for 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile?

Yes, CoreyChem provides custom synthesis services for 6-amino-3-(1,1,2,2,2-pentafluoroethyl)-1-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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