| CAS Number | 1508227-54-0 |
| Catalog Number | AG01BDKA |
| Chemical Name | 1-(4-chlorophenyl)-5-(propan-2-yl)-1H-pyrazol-4-amine |
| IUPAC Name | 1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine |
| InChI | InChI=1S/C12H14ClN3/c1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10/h3-8H,14H2,1-2H3 |
| InChI Key | NSXXGZDMFOQCMU-UHFFFAOYSA-N |
| MDL Number | MFCD21773818 |
| Molecular Formula | C12H14ClN3 |
| Molecular Weight | 235.7127 |
| SMILES | CC(C1N(C2=CC=C(Cl)C=C2)N=CC=1N)C |
| Synonyms | 1-(4-chlorophenyl)-5-(propan-2-yl)-1H-pyrazol-4-amine,
1508227-54-0,
1-(4-chlorophenyl)-5-isopropyl-1H-pyrazol-4-amine,
SCHEMBL15779584,
NSXXGZDMFOQCMU-UHFFFAOYSA-N,
ZINC85634288,
AKOS015771045,
MCULE-2814131600,
NE35697,
1-(4-chlorophenyl)-5-isopropylpyrazol-4-amine,
Z1839480739,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.715g/mol |
| Monoisotopic Mass | 235.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number