4-chloro-1-methyl-1H-pyrazole-3-carbonitrile
TL;DR: 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile (CAS 175204-86-1) is a chemical compound with molecular formula C5H4ClN3 and molecular weight 141.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methylpyrazole-3-carbonitrile
Also Known As: 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile, 4-chloro-1-methylpyrazole-3-carbonitrile, 2-SULFOETHYLMETHACRYLATE, 1H-Pyrazole-3-carbonitrile, 4-chloro-1-methyl-, 4-chloro-1-methyl-pyrazole-3-carbonitrile
| Molecular Formula | C5H4ClN3 |
|---|---|
| Molecular Weight | 141.01 g/mol |
| LogP | 0.94518 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.00937 |
| Heavy Atoms | 9 |
| Complexity | 257.6571 |
Chemical Identifiers
| CAS Number | 175204-86-1 |
|---|---|
| SMILES | CN1C=C(C(=N1)C#N)Cl |
Product Overview
4-chloro-1-methyl-1H-pyrazole-3-carbonitrile (CAS 175204-86-1), with molecular formula C5H4ClN3 and molecular weight 141.01 g/mol. IUPAC: 4-chloro-1-methylpyrazole-3-carbonitrile.
Chemical Property Profile of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile
Property Insights of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile
The XLogP value of 0.94518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile has 0 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 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile?
The CAS number of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile is 175204-86-1.
What is the molecular formula of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile?
The molecular formula of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile is C5H4ClN3.
What is the molecular weight of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile?
The molecular weight of 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile is 141.01 g/mol.
Where can I buy 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile?
You can request a quote for 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-methyl-1H-pyrazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.