3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile
TL;DR: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile (CAS 90090-70-3) is a chemical compound with molecular formula C8H11N3 and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile
Also Known As: starbld0045776, 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile, 3,5-Dimethyl-4'-(2-cyanoethyl)pyrazole, 4-(2-Cyanoethyl)-3,5-dimethyl-1H-pyrazole, 3,5-Dimethyl-4'-(2-cyanoethyl)-pyrazole
| Molecular Formula | C8H11N3 |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 1.48272 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.09529 |
| Heavy Atoms | 11 |
| Complexity | 260.51755 |
Chemical Identifiers
| CAS Number | 90090-70-3 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CCC#N |
Product Overview
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile (CAS 90090-70-3), with molecular formula C8H11N3 and molecular weight 149.10 g/mol. IUPAC: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile.
Chemical Property Profile of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile
Property Insights of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile
The XLogP value of 1.48272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile. With a topological polar surface area (TPSA) of 52.47 Ų, 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile 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 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile?
The CAS number of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile is 90090-70-3.
What is the molecular formula of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile?
The molecular formula of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile is C8H11N3.
What is the molecular weight of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile?
The molecular weight of 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile is 149.10 g/mol.
Where can I buy 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile?
You can request a quote for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.