1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-
TL;DR: 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- (CAS 98477-03-3) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-N-methyl-1-phenylpyrazole-4-carboxamide
Also Known As: 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-, 5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenylpyrazole-4-carboxamide, 5-cyano-1-phenyl-N-methy-1H-pyrazole-4-carboxamide, 5-cyano-1-phenyl-N-methyl-1H-pyrazole-4-carboxamide
| Molecular Formula | C12H10N4O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08546 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 98477-03-3 |
|---|---|
| SMILES | CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C#N |
| InChIKey | HHQRKCHGUBYEGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- (CAS 98477-03-3), with molecular formula C12H10N4O and molecular weight 226.09 g/mol. IUPAC: 5-cyano-N-methyl-1-phenylpyrazole-4-carboxamide.
Chemical Property Profile of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-
Property Insights of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- 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
Frequently Asked Questions
What is the CAS number of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-?
The CAS number of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- is 98477-03-3.
What is the molecular formula of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-?
The molecular formula of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- is C12H10N4O.
What is the molecular weight of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-?
The molecular weight of 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- is 226.09 g/mol.
Where can I buy 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-?
You can request a quote for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.