3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol (CAS 331710-75-9) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone
Also Known As: BAS 00436210, 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol, (3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone, (3-Ethyl-5-hydroxy-5-phenyl-4,5-dihydro-pyrazol-1-yl)-(2-nitro-phenyl)-methanone
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 3.052 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 850.4095 |
Chemical Identifiers
| CAS Number | 331710-75-9 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol (CAS 331710-75-9), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: (3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-nitrophenyl)methanone.
Chemical Property Profile of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 3.052 indicates that 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol 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-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol is 331710-75-9.
What is the molecular formula of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol is C18H17N3O4.
What is the molecular weight of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol is 339.12 g/mol.
Where can I buy 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-1-{2-nitrobenzoyl}-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.