![2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile structure](/static/products/371/371227-97-3.png)
2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile
TL;DR: 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile (CAS 371227-97-3) is a chemical compound with molecular formula C15H13N5O3 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile
Also Known As: 2-((5-hydroxy-3-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl)succinonitrile, 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile, 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile
| Molecular Formula | C15H13N5O3 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 2.10498 |
| Topological Polar Surface Area | 139.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.10184 |
| Heavy Atoms | 23 |
| Complexity | 868.21313 |
Chemical Identifiers
| CAS Number | 371227-97-3 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)[N+](=O)[O-])C(CC#N)C#N |
Product Overview
2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile (CAS 371227-97-3), with molecular formula C15H13N5O3 and molecular weight 311.10 g/mol. IUPAC: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]butanedinitrile.
Chemical Property Profile of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile
Property Insights of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile
The XLogP value of 2.10498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile. The TPSA of 139.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile. Following Lipinski's Rule of Five, 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile has 2 hydrogen bond donor(s) and 5 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-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile?
The CAS number of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile is 371227-97-3.
What is the molecular formula of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile?
The molecular formula of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile is C15H13N5O3.
What is the molecular weight of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile?
The molecular weight of 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile is 311.10 g/mol.
Where can I buy 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile?
You can request a quote for 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(3-nitrophenyl)methyl]butanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.