3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
TL;DR: 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile (CAS 138942-61-7) is a chemical compound with molecular formula C10H8N4 and molecular weight 184.07489 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1-phenylpyrazole-4-carbonitrile
Also Known As: 3-AMINO-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE, 3-amino-1-phenylpyrazole-4-carbonitrile, Maybridge1_000729, 1H-Pyrazole-4-carbonitrile, 3-amino-1-phenyl-, 1H-Pyrazole-4-carbonitrile,3-amino-1-phenyl-
Technical Specifications
| Molecular Formula | C10H8N4 |
| Molecular Weight | 184.07489 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.07489 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)N)C#N |
| InChIKey | XJGWIJRMZFXAHM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
Property Insights of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile?
The CAS number of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile is 138942-61-7.
What is the molecular formula of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular formula of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile is C10H8N4.
What is the molecular weight of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile?
The molecular weight of 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile is 184.07489 g/mol.
Where can I buy 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile?
You can request a quote for 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Amino-1-phenyl-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.