1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
TL;DR: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea (CAS 381187-97-9) is a chemical compound with molecular formula C14H15F3N4O2 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
Also Known As: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
| Molecular Formula | C14H15F3N4O2 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.11472 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 381187-97-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NCC(F)(F)F |
| InChIKey | CKMRABYLFBEGQV-UHFFFAOYSA-N |
Product Overview
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea (CAS 381187-97-9), with molecular formula C14H15F3N4O2 and molecular weight 328.11 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea.
Chemical Property Profile of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
Property Insights of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea. Following Lipinski's Rule of Five, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea has 2 hydrogen bond donor(s) and 6 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-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea?
The CAS number of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea is 381187-97-9.
What is the molecular formula of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea?
The molecular formula of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea is C14H15F3N4O2.
What is the molecular weight of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea?
The molecular weight of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea is 328.11 g/mol.
Where can I buy 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea?
You can request a quote for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.