(2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone
TL;DR: (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone (CAS 351333-93-2) is a chemical compound with molecular formula C11H8FN3O3 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluorophenyl)-(5-methyl-3-nitropyrazol-1-yl)methanone
Also Known As: N-Benzoylpyrazole deriv., 9, (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone, (2-fluorophenyl)-(5-methyl-3-nitropyrazol-1-yl)methanone, 2-fluorophenyl 5-methyl-3-nitropyrazolyl ketone, 1-[(2-fluorophenyl)carbonyl]-5-methyl-3-nitro-1H-pyrazole
| Molecular Formula | C11H8FN3O3 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.05496 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 351333-93-2 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC=CC=C2F)[N+](=O)[O-] |
| InChIKey | INYGHXGUCFFZOM-UHFFFAOYSA-N |
Product Overview
(2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone (CAS 351333-93-2), with molecular formula C11H8FN3O3 and molecular weight 249.05 g/mol. IUPAC: (2-fluorophenyl)-(5-methyl-3-nitropyrazol-1-yl)methanone.
Chemical Property Profile of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone
Property Insights of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone. Following Lipinski's Rule of Five, (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone has 0 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-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone?
The CAS number of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone is 351333-93-2.
What is the molecular formula of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone?
The molecular formula of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone is C11H8FN3O3.
What is the molecular weight of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone?
The molecular weight of (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone is 249.05 g/mol.
Where can I buy (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone?
You can request a quote for (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-fluorophenyl)(5-methyl-3-nitro-1H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.