3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile
TL;DR: 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile (CAS 1909-18-8) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanenitrile
Also Known As: TimTec1_005657, 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile, 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanenitrile, AE-848/06070004, 3-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)propanenitrile
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.9302 |
| Topological Polar Surface Area | 61.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 601.8302 |
Chemical Identifiers
| CAS Number | 1909-18-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCC#N |
Product Overview
3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile (CAS 1909-18-8), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanenitrile.
Chemical Property Profile of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile
Property Insights of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile
The XLogP value of 1.9302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile. The TPSA of 61.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(5-hydroxy-3-methyl-1-phenyl-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-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile?
The CAS number of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile is 1909-18-8.
What is the molecular formula of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile?
The molecular formula of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile is C13H13N3O.
What is the molecular weight of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile?
The molecular weight of 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile is 227.11 g/mol.
Where can I buy 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile?
You can request a quote for 3-(5-hydroxy-3-methyl-1-phenyl-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-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.