![2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile structure](/static/products/956/956986-59-7.png)
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile
TL;DR: 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile (CAS 956986-59-7) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
Also Known As: 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile, [4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile, 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile, 2-4-(3,5-dimethyl-1H-pyrazol-1-yl)phenylacetonitrile
| Molecular Formula | C13H13N3 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 2.55522 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.11095 |
| Heavy Atoms | 16 |
| Complexity | 529.2956 |
Chemical Identifiers
| CAS Number | 956986-59-7 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)CC#N)C |
Product Overview
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile (CAS 956986-59-7), with molecular formula C13H13N3 and molecular weight 211.11 g/mol. IUPAC: 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile.
Chemical Property Profile of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile
Property Insights of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile
The XLogP value of 2.55522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]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 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile?
The CAS number of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile is 956986-59-7.
What is the molecular formula of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile?
The molecular formula of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile is C13H13N3.
What is the molecular weight of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile?
The molecular weight of 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile is 211.11 g/mol.
Where can I buy 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile?
You can request a quote for 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.