| CAS Number | 1007514-99-9 |
| Catalog Number | AG00H9BF(AGN-PC-0WCNY1) |
| Chemical Name | Ethyl 1-isopropyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 1-propan-2-ylpyrazole-3-carboxylate |
| InChI | InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-6-11(10-8)7(2)3/h5-7H,4H2,1-3H3 |
| InChI Key | OOSYBDIVLBCQCU-UHFFFAOYSA-N |
| MDL Number | MFCD08700969 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | O=C(OCC)C1=NN(C(C)C)C=C1 |
| Synonyms | ethyl 1-isopropyl-1H-pyrazole-3-carboxylate,
1007514-99-9,
1-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester,
SCHEMBL1058997,
OOSYBDIVLBCQCU-UHFFFAOYSA-N,
ALBB-026919,
MFCD08700969,
ZINC26547076,
AKOS003673962,
ethyl 1-(propan-2-yl)-1H-pyrazole-3-carboxylate,
F2146-0680,
1H-pyrazole-3-carboxylic acid, 1-(1-methylethyl)-, ethyl ester,
ethyl 1-propan-2-ylpyrazole-3-carboxylate,
T0348,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number