(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile
TL;DR: (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile (CAS 946699-69-0) is a chemical compound with molecular formula C7H8ClN3 and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetonitrile
Also Known As: (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile, 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile, 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetonitrile, 7172AC, (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
| Molecular Formula | C7H8ClN3 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 1.67692 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.04068 |
| Heavy Atoms | 11 |
| Complexity | 308.22098 |
Chemical Identifiers
| CAS Number | 946699-69-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC#N)C)Cl |
Product Overview
(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile (CAS 946699-69-0), with molecular formula C7H8ClN3 and molecular weight 169.04 g/mol. IUPAC: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetonitrile.
Chemical Property Profile of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile
Property Insights of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile
The XLogP value of 1.67692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile 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-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile?
The CAS number of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile is 946699-69-0.
What is the molecular formula of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile?
The molecular formula of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile is C7H8ClN3.
What is the molecular weight of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile?
The molecular weight of (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile is 169.04 g/mol.
Where can I buy (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile?
You can request a quote for (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.