| CAS Number | 133261-08-2 |
| Catalog Number | AG009WA4(AGN-PC-0PJXYN) |
| Chemical Name | Ethyl 3-Isopropyl-1-Methyl-1H-Pyrazole-5-Carboxylate |
| IUPAC Name | ethyl 2-methyl-5-propan-2-ylpyrazole-3-carboxylate |
| InChI | InChI=1S/C10H16N2O2/c1-5-14-10(13)9-6-8(7(2)3)11-12(9)4/h6-7H,5H2,1-4H3 |
| InChI Key | SQVBMKQXLRPNMU-UHFFFAOYSA-N |
| MDL Number | MFCD17193478 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | CCOC(=O)C1=CC(=NN1C)C(C)C |
| Synonyms | 133261-08-2,
Ethyl 3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate,
Ethyl 2-methyl-5-propan-2-ylpyrazole-3-carboxylate,
SCHEMBL19357273,
1-methyl-3-isopropyl-1h-pyrazole-5-carboxylic acid ethyl ester,
1-METHYL-3-ISOPROPYL-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER,
MFCD17193478,
ZINC75824271,
AKOS022180854,
WT82407,
AS-40916,
AJ-121963,
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(1-methylethyl)-, ethyl ester,
ACN-039147,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number