| CAS Number | 1250786-93-6 |
| Catalog Number | AG01AITY |
| Chemical Name | 1-ethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-one |
| IUPAC Name | 2-ethyl-5-phenyl-4H-pyrazol-3-one |
| InChI | InChI=1S/C11H12N2O/c1-2-13-11(14)8-10(12-13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChI Key | KIFRCZFHFNZPRH-UHFFFAOYSA-N |
| MDL Number | MFCD14619696 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CCN1C(=O)CC(C2=CC=CC=C2)=N1 |
| Synonyms | 1-ethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-one,
1250786-93-6,
ZINC41043073,
AKOS010209755,
NE31070,
EN300-79005,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.094963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.094963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number