| CAS Number | 1610377-15-5 |
| Catalog Number | AG00J0J3(AGN-PC-0WAYFY) |
| Chemical Name | Diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate |
| IUPAC Name | diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]pyrazole-3,5-dicarboxylate |
| InChI | InChI=1S/C17H17ClN2O5/c1-3-24-16(22)13-9-14(17(23)25-4-2)20(19-13)10-15(21)11-5-7-12(18)8-6-11/h5-9H,3-4,10H2,1-2H3 |
| InChI Key | CVURUNZPRIWJDA-UHFFFAOYSA-N |
| MDL Number | MFCD28023530 |
| Molecular Formula | C17H17ClN2O5 |
| Molecular Weight | 364.7803 |
| SMILES | ClC2(=CC=C(C(=O)CN1(N=C(C(=O)OCC)C=C1C(=O)OCC))C=C2) |
| Synonyms | 1610377-15-5,
diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate,
3,5-diethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrazole-3,5-dicarboxylate,
HTS001673,
MFCD28023530,
ZINC98211181,
AKOS025392443,
BS-3164,
KS-0000236W,
OR310745,
C17H17ClN2O5,
|
| Complexity | 493 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.782g/mol |
| Monoisotopic Mass | 364.083g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number