(R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile
TL;DR: (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile (CAS 302776-81-4) is a chemical compound with molecular formula C14H11N5O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
Also Known As: (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile, 2-[(R)-(3-Hydroxy-5-methyl-1H-pyrazol-4-yl)-(2-nitro-phenyl)-methyl]-malononitrile, 2-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile
| Molecular Formula | C14H11N5O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.08618 |
| Heavy Atoms | 22 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 302776-81-4 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)[C@@H](C2=CC=CC=C2[N+](=O)[O-])C(C#N)C#N |
| InChIKey | AHRZCKBBODFMPF-CYBMUJFWSA-N |
Product Overview
(R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile (CAS 302776-81-4), with molecular formula C14H11N5O3 and molecular weight 297.09 g/mol. IUPAC: 2-[(R)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-nitrophenyl)methyl]propanedinitrile.
Chemical Property Profile of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile
Property Insights of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile. Following Lipinski's Rule of Five, (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile has 2 hydrogen bond donor(s) and 6 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 (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile?
The CAS number of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile is 302776-81-4.
What is the molecular formula of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile?
The molecular formula of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile is C14H11N5O3.
What is the molecular weight of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile?
The molecular weight of (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile is 297.09 g/mol.
Where can I buy (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile?
You can request a quote for (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (R)-2-((3-hydroxy-5-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.