| CAS Number | 241127-26-4 |
| Catalog Number | AG00IMT9(AGN-PC-0WAP5E) |
| Chemical Name | N-ethyl-5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole-1-carboxamide |
| IUPAC Name | N-ethyl-5-[1-[3-(trifluoromethyl)phenoxy]ethyl]pyrazole-1-carboxamide |
| InChI | InChI=1S/C15H16F3N3O2/c1-3-19-14(22)21-13(7-8-20-21)10(2)23-12-6-4-5-11(9-12)15(16,17)18/h4-10H,3H2,1-2H3,(H,19,22) |
| InChI Key | ZWKAWSNEOQTQHT-UHFFFAOYSA-N |
| MDL Number | MFCD00139098 |
| Molecular Formula | C15H16F3N3O2 |
| Molecular Weight | 327.3016 |
| SMILES | CCNC(=O)N1N=CC=C1C(C)OC1=CC=CC(=C1)C(F)(F)F |
| Synonyms | N-ethyl-5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole-1-carboxamide,
241127-26-4,
AC1MCA6B,
MLS000543159,
CHEMBL1547057,
KS-00001QEL,
HMS2415F12,
AKOS005074034,
MCULE-1362043962,
SMR000169128,
10C-027,
N-ethyl-5-[1-[3-(trifluoromethyl)phenoxy]ethyl]pyrazole-1-carboxamide,
ZINC03016413,
CID2764692,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.307g/mol |
| Monoisotopic Mass | 327.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number