| CAS Number | 956159-37-8 |
| Catalog Number | AG019NLO |
| Chemical Name | 3-(4-cyclohexylphenyl)-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(4-cyclohexylphenyl)-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C21H23N3/c22-21-15-20(23-24(21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-16H,1,3-4,7-8,22H2 |
| InChI Key | GVIJTRBXAFYKPX-UHFFFAOYSA-N |
| MDL Number | MFCD06358655 |
| Molecular Formula | C21H23N3 |
| Molecular Weight | 317.4274 |
| SMILES | NC1=CC(C2=CC=C(C3CCCCC3)C=C2)=NN1C4=CC=CC=C4 |
| Synonyms | 3-(4-cyclohexylphenyl)-1-phenyl-1H-pyrazol-5-amine,
956159-37-8,
AC1M8P9O,
AC1Q51IT,
5-(4-cyclohexylphenyl)-2-phenylpyrazol-3-amine,
CTK7D5902,
ZINC3399179,
AKOS008030414,
MCULE-9706634720,
NE25743,
EN300-11126,
J-510688,
2-Hydroxyphenylboronic acid,
ZINC03399179,
CID2517692,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.436g/mol |
| Monoisotopic Mass | 317.189g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number