| CAS Number | 1006453-59-3 |
| Catalog Number | AG00H99Z(AGN-PC-0WBAOS) |
| Chemical Name | 1-Isopropyl-3-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-methyl-1-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C8H12N2O/c1-6(2)10-4-8(5-11)7(3)9-10/h4-6H,1-3H3 |
| InChI Key | BHBXFMBLZVNXDT-UHFFFAOYSA-N |
| MDL Number | MFCD06805437 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CC(N1N=C(C)C(C=O)=C1)C |
| Synonyms | 1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE,
1006453-59-3,
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
3-methyl-1-(methylethyl)pyrazole-4-carbaldehyde,
CTK7I0270,
ALBB-013435,
MFCD06805437,
SBB022971,
STK350159,
ZINC12357817,
AKOS000309062,
MCULE-6194843342,
1-isopropyl-3-methylpyrazole-4-carbaldehyde,
ST45134058,
1H-pyrazole-4-carboxaldehyde, 3-methyl-1-(1-methylethyl)-,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number