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1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea structure
Fine Chemical

1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea

TL;DR: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea (CAS 1005679-10-6) is a chemical compound with molecular formula C13H18BrN7OS and molecular weight 399.0477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea

Also Known As: 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea, 2-[(4-BROMO-1,3-DIMETHYL-1H-PYRAZOL-5-YL)CARBONYL]-N-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-1-HYDRAZINECARBOTHIOAMIDE, 2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazinecarbothioamide, 3-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-1-(1-ethyl-5-methyl-pyrazol-4-yl)thiourea

CAS Number
1005679-10-6
Molecular Formula
C13H18BrN7OS
Molecular Weight
399.0477 g/mol
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Technical Specifications

Molecular FormulaC13H18BrN7OS
Molecular Weight399.0477 g/mol
XLogP1.4
Topological Polar Surface Area (TPSA)121.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass399.0477 Da
Heavy Atoms23
Complexity454.0
SMILESCCN1C(=C(C=N1)NC(=S)NNC(=O)C2=C(C(=NN2C)C)Br)C
InChIKeySRYAMASEZBYYSM-UHFFFAOYSA-N

Chemical Property Profile of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea

XLogP
1.4
TPSA (Topological Polar Surface Area)
121.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
23
Complexity
454.0
Exact Mass
399.0477
Monoisotopic Mass
399.0477
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 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea

The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?

The CAS number of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is 1005679-10-6.

What is the molecular formula of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?

The molecular formula of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is C13H18BrN7OS.

What is the molecular weight of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?

The molecular weight of 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is 399.0477 g/mol.

Where can I buy 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?

You can request a quote for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?

Yes, CoreyChem provides custom synthesis services for 1-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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