| CAS Number | 1007513-29-2 |
| Catalog Number | AG019D5Y(AGN-PC-0WBD8Z) |
| Chemical Name | (1-Isopropyl-1H-Pyrazol-3-Yl)Methanol |
| IUPAC Name | (1-propan-2-ylpyrazol-3-yl)methanol |
| InChI | InChI=1S/C7H12N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-4,6,10H,5H2,1-2H3 |
| InChI Key | ZSTOEPVCZPKMDO-UHFFFAOYSA-N |
| MDL Number | MFCD08700513 |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.1830 |
| SMILES | CC(N1N=C(CO)C=C1)C |
| Synonyms | (1-isopropyl-1H-pyrazol-3-yl)methanol,
1007513-29-2,
[1-(propan-2-yl)-1H-pyrazol-3-yl]methanol,
[1-(methylethyl)pyrazol-3-yl]methan-1-ol,
SCHEMBL1064984,
ZSTOEPVCZPKMDO-UHFFFAOYSA-N,
MFCD08700513,
SBB073688,
ZINC26545149,
AKOS003673785,
MCULE-8361815376,
(1-Isopropyl-1H-pyrazol-3-yl)-methanol,
(1-ISOPROPYLPYRAZOL-3-YL)METHANOL,
ST51061606,
Z1251219820,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.186g/mol |
| Monoisotopic Mass | 140.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number