| CAS Number | 1258640-42-4 |
| Catalog Number | AG01A8ZJ(AGN-PC-0WO0ME) |
| Chemical Name | 5-(dimethylamino)-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H17N3O/c1-7(2)9-8(6-14)10(12(3)4)13(5)11-9/h6-7H,1-5H3 |
| InChI Key | SFTUSMHYANBCQA-UHFFFAOYSA-N |
| MDL Number | MFCD17167117 |
| Molecular Formula | C10H17N3O |
| Molecular Weight | 195.2615 |
| SMILES | CC(C1C(C=O)=C(N(C)C)N(C)N=1)C |
| Synonyms | 5-(dimethylamino)-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde,
1258640-42-4,
AC1Q1OXV,
ZINC57217729,
AKOS023166291,
NE39392,
EN300-63791,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.266g/mol |
| Monoisotopic Mass | 195.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number