| CAS Number | 1175899-74-7 |
| Catalog Number | AG01FFP0(AGN-PC-3H4A9F) |
| Chemical Name | 5-amino-1-(4-isopropylphenyl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C13H14N4/c1-9(2)10-3-5-12(6-4-10)17-13(15)11(7-14)8-16-17/h3-6,8-9H,15H2,1-2H3 |
| InChI Key | QVGYSLPAHYVSFV-UHFFFAOYSA-N |
| MDL Number | MFCD11938192 |
| Molecular Formula | C13H14N4 |
| Molecular Weight | 226.2771 |
| SMILES | N#CC1=C(N)N(C2=CC=C(C(C)C)C=C2)N=C1 |
| Synonyms | 1175899-74-7,
5-Amino-1-(4-isopropylphenyl)-1H-pyrazole-4-carbonitrile,
ZINC32015198,
AKOS022259185,
SC-56359,
5-Amino-1-(4-isopropyl-phenyl)-1H-pyrazole-4-carbo,
5-AMINO-1-(4-ISOPROPYL-PHENYL)-1H-PYRAZOLE-4-CARBONITRILE,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.283g/mol |
| Monoisotopic Mass | 226.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number