| CAS Number | 1152502-99-2 |
| Catalog Number | AG019UYV(AGN-PC-0WO3J8) |
| Chemical Name | 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C8H12N2O/c1-6(2)8-7(5-11)4-10(3)9-8/h4-6H,1-3H3 |
| InChI Key | KQWIBEKKNWQHJU-UHFFFAOYSA-N |
| MDL Number | MFCD11103096 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CC(C1C(C=O)=CN(C)N=1)C |
| Synonyms | 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
1152502-99-2,
3-Isopropyl-1-methyl-1H-pyrazole-4-carbaldehyde,
AC1Q1OXZ,
SCHEMBL12344019,
CTK7I0268,
ZINC32625199,
AKOS009306942,
MCULE-3676999138,
NE50164,
EN300-43247,
1-Methyl-3-isopropyl-1H-pyrazole-4-carbaldehyde,
|
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number