| CAS Number | 956949-94-3 |
| Catalog Number | AG019JLX |
| Chemical Name | 1-phenyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-amine |
| IUPAC Name | 2-phenyl-5-(4-propan-2-ylphenyl)pyrazol-3-amine |
| InChI | InChI=1S/C18H19N3/c1-13(2)14-8-10-15(11-9-14)17-12-18(19)21(20-17)16-6-4-3-5-7-16/h3-13H,19H2,1-2H3 |
| InChI Key | AYUSIJBBUDUBSY-UHFFFAOYSA-N |
| MDL Number | MFCD06357400 |
| Molecular Formula | C18H19N3 |
| Molecular Weight | 277.3636 |
| SMILES | CC(C1=CC=C(C2=NN(C3=CC=CC=C3)C(N)=C2)C=C1)C |
| Synonyms | 1-phenyl-3-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-amine,
956949-94-3,
3-(4-isopropylphenyl)-1-phenyl-1H-pyrazol-5-amine,
AC1MVHQE,
AC1Q1OKZ,
2-phenyl-5-(4-propan-2-ylphenyl)pyrazol-3-amine,
CTK6A4945,
ZINC3887910,
AKOS008965414,
MCULE-3234006508,
NE42792,
EN300-09791,
Z56347068,
CID3683443,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.371g/mol |
| Monoisotopic Mass | 277.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number