5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole
TL;DR: 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole (CAS 29938-65-6) is a chemical compound with molecular formula C7H11ClN2 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-3-propan-2-ylpyrazole
Also Known As: 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole, 5-chloro-3-isopropyl-1-methyl-1H-pyrazole, 5-Chloro-3-isopropyl-1-methylpyrazole, 5-chloro-1-methyl-3-propan-2-ylpyrazole, 5-CHLORO-3-ISOPROPYL-1-METHYL-PYRAZOLE
| Molecular Formula | C7H11ClN2 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 2.1969 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.06108 |
| Heavy Atoms | 10 |
| Complexity | 208.01003 |
Chemical Identifiers
| CAS Number | 29938-65-6 |
|---|---|
| SMILES | CC(C)C1=NN(C(=C1)Cl)C |
Product Overview
5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole (CAS 29938-65-6), with molecular formula C7H11ClN2 and molecular weight 158.06 g/mol. IUPAC: 5-chloro-1-methyl-3-propan-2-ylpyrazole.
Chemical Property Profile of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole
Property Insights of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole
The XLogP value of 2.1969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole has 0 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 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole?
The CAS number of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole is 29938-65-6.
What is the molecular formula of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole?
The molecular formula of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole is C7H11ClN2.
What is the molecular weight of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole?
The molecular weight of 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole is 158.06 g/mol.
Where can I buy 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole?
You can request a quote for 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.