1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole (CAS 136285-65-9) is a chemical compound with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole, (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone, BAS 01109778, N-(N-phenylacetyl-L-cysteinyl)-D-valine, (2-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
| Molecular Formula | C12H11ClN2O |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.05598 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 136285-65-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC=CC=C2Cl)C |
| InChIKey | IARJJCVPPPWSAK-UHFFFAOYSA-N |
Product Overview
1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole (CAS 136285-65-9), with molecular formula C12H11ClN2O and molecular weight 234.06 g/mol. IUPAC: (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.2 indicates that 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 2 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 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole is 136285-65-9.
What is the molecular formula of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole is C12H11ClN2O.
What is the molecular weight of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole is 234.06 g/mol.
Where can I buy 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.