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[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
TL;DR: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CAS 1005559-93-2) is a chemical compound with molecular formula C11H14ClF3N4O and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
Also Known As: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone|[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl](4-methylpiperazin-1-yl)methanone|[4-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL](4-METHYLPIPERAZINO)METHANONE
| Molecular Formula | C11H14ClF3N4O |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 1.4799 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.0808 |
| Heavy Atoms | 20 |
| Complexity | 520.47327 |
Chemical Identifiers
| CAS Number | 1005559-93-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=C(C(=NN2C)C(F)(F)F)Cl |
Product Overview
[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CAS 1005559-93-2), with molecular formula C11H14ClF3N4O and molecular weight 310.08 g/mol. IUPAC: [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
Property Insights of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
The XLogP value of 1.4799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 41.37 Ų, [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 3 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 [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The CAS number of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is 1005559-93-2.
What is the molecular formula of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The molecular formula of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is C11H14ClF3N4O.
What is the molecular weight of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The molecular weight of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is 310.08 g/mol.
Where can I buy [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
You can request a quote for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.