1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
TL;DR: 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- (CAS 98477-07-7) is a chemical compound with molecular formula C10H14N4O and molecular weight 206.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-5-cyano-N-methylpyrazole-4-carboxamide
Also Known As: 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-, 1-tert-butyl-5-cyano-N-methyl-1H-pyrazole-4-carboxamide, 1-tert-butyl-5-cyano-N-methylpyrazole-4-carboxamide, 5-cyano-1-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide, 5-cyano-N-methyl-1-tert-butyl-pyrazole-4-carboxamide
| Molecular Formula | C10H14N4O |
|---|---|
| Molecular Weight | 206.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.11676 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 98477-07-7 |
|---|---|
| SMILES | CC(C)(C)N1C(=C(C=N1)C(=O)NC)C#N |
| InChIKey | JLUPSFKBYGTZJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- (CAS 98477-07-7), with molecular formula C10H14N4O and molecular weight 206.12 g/mol. IUPAC: 1-tert-butyl-5-cyano-N-methylpyrazole-4-carboxamide.
Chemical Property Profile of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
Property Insights of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- 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-1-(1,1-dimethylethyl)-N-methyl-?
The CAS number of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- is 98477-07-7.
What is the molecular formula of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-?
The molecular formula of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- is C10H14N4O.
What is the molecular weight of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-?
The molecular weight of 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- is 206.12 g/mol.
Where can I buy 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-?
You can request a quote for 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- 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-1-(1,1-dimethylethyl)-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.