| CAS Number | 1006348-65-7 |
| Catalog Number | AG00JFEB(AGN-PC-0WBBME) |
| Chemical Name | Methyl 1-isopropyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 1-propan-2-ylpyrazole-3-carboxylate |
| InChI | InChI=1S/C8H12N2O2/c1-6(2)10-5-4-7(9-10)8(11)12-3/h4-6H,1-3H3 |
| InChI Key | PORMWGSZOHFFHJ-UHFFFAOYSA-N |
| MDL Number | MFCD08559018 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CC(C)n1ccc(n1)C(=O)OC |
| Synonyms | METHYL 1-ISOPROPYL-1H-PYRAZOLE-3-CARBOXYLATE,
1006348-65-7,
methyl 1-(propan-2-yl)-1H-pyrazole-3-carboxylate,
methyl 1-(methylethyl)pyrazole-3-carboxylate,
SCHEMBL1431340,
CTK6J0854,
PORMWGSZOHFFHJ-UHFFFAOYSA-N,
MFCD08559018,
SBB024575,
STK351545,
ZINC12395663,
AKOS000319192,
MCULE-2658992735,
FT-0739330,
ST45123262,
methyl 1-(1-methylethyl)-1H-pyrazole-3-carboxylate,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number