| CAS Number | 52217-35-3 |
| Catalog Number | AG01B9TT(AGN-PC-0NACFF) |
| Chemical Name | 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-amino-3-methyl-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H11N3O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3 |
| InChI Key | USUZLTADOLMXDK-UHFFFAOYSA-N |
| MDL Number | MFCD00178662 |
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.2245 |
| SMILES | CC1C(C=O)=C(N)N(C2=CC=CC=C2)N=1 |
| Synonyms | 52217-35-3,
5-amino-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde,
1H-Pyrazole-4-carboxaldehyde, 5-amino-3-methyl-1-phenyl-,
ZINC2556056,
5-amino-3-methyl-1-phenylpyrazole-4-carb-aldehyde,
1-Phenyl-3-methyl-5-amino-1H-pyrazole-4-carbaldehyde,
CID10774442,
5-amino-3-methyl-1-phenyl-pyrazole-4-carbaldehyde,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.229g/mol |
| Monoisotopic Mass | 201.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number