| CAS Number | 956506-25-5 |
| Catalog Number | AG019O6R |
| Chemical Name | ethyl 2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetate |
| InChI | InChI=1S/C15H16N2O3/c1-4-20-15(19)14(18)13-10(2)16-17(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3 |
| InChI Key | FZQMIIDKOUMCDI-UHFFFAOYSA-N |
| MDL Number | MFCD06655580 |
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.2991 |
| SMILES | CCOC(C(C1=C(C)N(C2=CC=CC=C2)N=C1C)=O)=O |
| Synonyms | ethyl 2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-oxoacetate,
956506-25-5,
ethyl (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)(oxo)acetate,
AC1NLQ6R,
AC1Q31WL,
CTK6F3389,
ZINC4206010,
AKOS008987456,
MCULE-4719680362,
NE26518,
EN300-12946,
Z85928743,
ethyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetate,
ZINC04206010,
CID4962146,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.304g/mol |
| Monoisotopic Mass | 272.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number