1H-Pyrazole-4-carbonitrile
TL;DR: 1H-Pyrazole-4-carbonitrile (CAS 31301-62-9) is a chemical compound with molecular formula C4H3N3 and molecular weight 93.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrazole-4-carbonitrile
Also Known As: 1H-Pyrazole-4-carbonitrile, 4-Cyanopyrazole, Pyrazole-4-carbonitrile, 4-Cyano-1H-pyrazole, 1H-PYRAZOL-4-YL CYANIDE
| Molecular Formula | C4H3N3 |
|---|---|
| Molecular Weight | 93.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 93.0327 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 31301-62-9 |
|---|---|
| SMILES | C1=C(C=NN1)C#N |
| InChIKey | NUGZBVBZIDWZAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole-4-carbonitrile (CAS 31301-62-9), with molecular formula C4H3N3 and molecular weight 93.03 g/mol. IUPAC: 1H-pyrazole-4-carbonitrile.
Chemical Property Profile of 1H-Pyrazole-4-carbonitrile
Property Insights of 1H-Pyrazole-4-carbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 1H-Pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carbonitrile has 1 hydrogen bond donor(s) and 2 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-carbonitrile?
The CAS number of 1H-Pyrazole-4-carbonitrile is 31301-62-9.
What is the molecular formula of 1H-Pyrazole-4-carbonitrile?
The molecular formula of 1H-Pyrazole-4-carbonitrile is C4H3N3.
What is the molecular weight of 1H-Pyrazole-4-carbonitrile?
The molecular weight of 1H-Pyrazole-4-carbonitrile is 93.03 g/mol.
Where can I buy 1H-Pyrazole-4-carbonitrile?
You can request a quote for 1H-Pyrazole-4-carbonitrile 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-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.