2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 400076-62-2) is a chemical compound with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one
Also Known As: 12E-318S, 2-tert-butyl-4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one, 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 2-tert-butyl-4-(4-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C14H17ClN2O |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 3.56022 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.10294 |
| Heavy Atoms | 18 |
| Complexity | 614.72406 |
Chemical Identifiers
| CAS Number | 400076-62-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(C)(C)C)C2=CC=C(C=C2)Cl |
Product Overview
2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 400076-62-2), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: 2-tert-butyl-4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 3.56022 indicates that 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 1 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-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 400076-62-2.
What is the molecular formula of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is C14H17ClN2O.
What is the molecular weight of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 264.10 g/mol.
Where can I buy 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butyl)-4-(4-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.