(3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone
TL;DR: (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone (CAS 64808-42-0) is a chemical compound with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone
Also Known As: BAS 00439847, (3-anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone, 1H-Pyrazol-3-amine, 5-methyl-1-(4-nitrobenzoyl)-N-phenyl-, (5-Methyl-3-phenylamino-pyrazol-1-yl)-(4-nitro-phenyl)-methanone, 5-methyl-3-(phenylamino)pyrazolyl 4-nitrophenyl ketone
| Molecular Formula | C17H14N4O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 3.53182 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1066 |
| Heavy Atoms | 24 |
| Complexity | 885.9589 |
Chemical Identifiers
| CAS Number | 64808-42-0 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3 |
Product Overview
(3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone (CAS 64808-42-0), with molecular formula C17H14N4O3 and molecular weight 322.11 g/mol. IUPAC: (3-anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone.
Chemical Property Profile of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone
Property Insights of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone
The XLogP value of 3.53182 indicates that (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone has 1 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 (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone?
The CAS number of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone is 64808-42-0.
What is the molecular formula of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone?
The molecular formula of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone is C17H14N4O3.
What is the molecular weight of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone?
The molecular weight of (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone is 322.11 g/mol.
Where can I buy (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone?
You can request a quote for (3-Anilino-5-methylpyrazol-1-yl)-(4-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-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Anilino-5-methylpyrazol-1-yl)-(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.