| CAS Number | 385375-59-7 |
| Catalog Number | AG00CXOW(AGN-PC-0WOMUY) |
| Chemical Name | 5-Isopropyl-1H-pyrazol-3(2H)-one |
| IUPAC Name | 5-propan-2-yl-1,2-dihydropyrazol-3-one |
| InChI | InChI=1S/C6H10N2O/c1-4(2)5-3-6(9)8-7-5/h3-4H,1-2H3,(H2,7,8,9) |
| InChI Key | YXJMHLUZYAZADZ-UHFFFAOYSA-N |
| MDL Number | MFCD18818357 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | CC(C1NN=C(O)C=1)C |
| Synonyms | 385375-59-7,
3-(propan-2-yl)-1H-pyrazol-5-ol,
5-Isopropyl-1H-pyrazol-3(2H)-one,
3-hydroxy-5-isopropylpyrazole,
SCHEMBL1531224,
ZINC26515267,
5-Isopropyl-1H-pyrazole-3(2H)-one,
AKOS004123317,
AKOS013464329,
3h-pyrazol-3-one,1,2-dihydro-5-(1-methylethyl)-,
3H-Pyrazol-3-one,1,2-dihydro-5-(1-methylethyl)-(9CI),
3H-Pyrazol-3-one, 1,2-dihydro-5-(1-methylethyl)- (9CI),
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number