| CAS Number | 956453-60-4 |
| Catalog Number | AG019NLC |
| Chemical Name | 3-(4-butylphenyl)-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(4-butylphenyl)-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C19H21N3/c1-2-3-7-15-10-12-16(13-11-15)18-14-19(20)22(21-18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,20H2,1H3 |
| InChI Key | AIFFAHUZAKKYNO-UHFFFAOYSA-N |
| MDL Number | MFCD06358650 |
| Molecular Formula | C19H21N3 |
| Molecular Weight | 291.3901 |
| SMILES | NC1=CC(C2=CC=C(CCCC)C=C2)=NN1C3=CC=CC=C3 |
| Synonyms | 3-(4-butylphenyl)-1-phenyl-1H-pyrazol-5-amine,
956453-60-4,
AC1Q2VEL,
5-(4-butylphenyl)-2-phenylpyrazol-3-amine,
AC1M8P89,
CTK6D6385,
ZINC3399155,
AKOS023166242,
MCULE-8773806758,
NE20063,
EN300-11093,
J-510670,
Z57033932,
2-HYDROXYDECANOIC ACID,
ZINC03399155,
CID2517666,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.398g/mol |
| Monoisotopic Mass | 291.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number