(3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone
TL;DR: (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone (CAS 69413-22-5) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylpyrazol-1-yl)-(3-nitrophenyl)methanone
Also Known As: (3-methylpyrazol-1-yl)-(3-nitrophenyl)methanone, 3-methylpyrazolyl 3-nitrophenyl ketone, 1-{3-nitrobenzoyl}-3-methyl-1H-pyrazole, 3-methyl-1-(3-nitrobenzoyl)-1H-pyrazole, AN-329/41689913
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 69413-22-5 |
|---|---|
| SMILES | CC1=NN(C=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | AMXVKVKDUFKZDZ-UHFFFAOYSA-N |
Product Overview
(3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone (CAS 69413-22-5), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: (3-methylpyrazol-1-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone
Property Insights of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 4 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-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone?
The CAS number of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone is 69413-22-5.
What is the molecular formula of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone?
The molecular formula of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone is C11H9N3O3.
What is the molecular weight of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone?
The molecular weight of (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone is 231.06 g/mol.
Where can I buy (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone?
You can request a quote for (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylpyrazol-1-yl)-(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.