(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
TL;DR: (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone (CAS 74102-41-3) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-nitrophenyl)methanone
Also Known As: TZYDUQBFBRCHEN-UHFFFAOYSA-, BAS 00341437, (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone, A1711/0072950, (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-(4-nitro-phenyl)-methanone
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.5251 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 562.84216 |
Chemical Identifiers
| CAS Number | 74102-41-3 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone (CAS 74102-41-3), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-nitrophenyl)methanone.
Chemical Property Profile of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
Property Insights of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
The XLogP value of 1.5251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-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 (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
The CAS number of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is 74102-41-3.
What is the molecular formula of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
The molecular formula of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is C12H13N3O4.
What is the molecular weight of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
The molecular weight of (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is 263.09 g/mol.
Where can I buy (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
You can request a quote for (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-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 (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.