(4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
TL;DR: (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone (CAS 7702-81-0) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
Also Known As: (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone, (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methan, (4-Nitrophenyl)(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 7702-81-0 |
|---|---|
| SMILES | C1C(C(N=N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | BDEHDTHOWLSMEX-UHFFFAOYSA-N |
Product Overview
(4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone (CAS 7702-81-0), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone.
Chemical Property Profile of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
Property Insights of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
The XLogP value of 3.2 indicates that (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone. Following Lipinski's Rule of Five, (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-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 (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone?
The CAS number of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone is 7702-81-0.
What is the molecular formula of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone?
The molecular formula of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone is C16H13N3O3.
What is the molecular weight of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone?
The molecular weight of (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone is 295.10 g/mol.
Where can I buy (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone?
You can request a quote for (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.