2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
TL;DR: 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone (CAS 957299-18-2) is a chemical compound with molecular formula C13H17F2N3O and molecular weight 269.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
Also Known As: BAS 08301451, 2-[5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-1-(1-pyrrolidinyl)ethanone, 2-(5-Cyclopropyl-3-difluoromethyl-pyrazol-1-yl)-1-pyrrolidin-1-yl-ethanone, 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone, 5-cyclopropyl-3-(difluoromethyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrazole
| Molecular Formula | C13H17F2N3O |
|---|---|
| Molecular Weight | 269.13 g/mol |
| LogP | 2.3205 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.13397 |
| Heavy Atoms | 19 |
| Complexity | 476.2329 |
Chemical Identifiers
| CAS Number | 957299-18-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CN2C(=CC(=N2)C(F)F)C3CC3 |
Product Overview
2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone (CAS 957299-18-2), with molecular formula C13H17F2N3O and molecular weight 269.13 g/mol. IUPAC: 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
Property Insights of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
The XLogP value of 2.3205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone. With a topological polar surface area (TPSA) of 38.13 Ų, 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone 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 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone?
The CAS number of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone is 957299-18-2.
What is the molecular formula of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone?
The molecular formula of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone is C13H17F2N3O.
What is the molecular weight of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone?
The molecular weight of 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone is 269.13 g/mol.
Where can I buy 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone?
You can request a quote for 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.