| CAS Number | 77746-54-4 |
| Catalog Number | AG00G5LN(AGN-PC-0LO75N) |
| Chemical Name | 1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(4-methylphenyl)-5-phenylpyrazol-3-amine |
| InChI | InChI=1S/C16H15N3/c1-12-7-9-14(10-8-12)19-16(17)11-15(18-19)13-5-3-2-4-6-13/h2-11H,17H2,1H3 |
| InChI Key | BTKYVBPZOCRERJ-UHFFFAOYSA-N |
| MDL Number | MFCD00589678 |
| Molecular Formula | C16H15N3 |
| Molecular Weight | 249.3104 |
| SMILES | CC1=CC=C(N2C(N)=CC(C3=CC=CC=C3)=N2)C=C1 |
| Synonyms | 77746-54-4,
1-(4-methylphenyl)-3-phenyl-1H-pyrazol-5-amine,
3-Phenyl-1-p-tolyl-1H-pyrazol-5-ylamine,
1-(4-methylphenyl)-3-phenyl-1h-pyrazol-5-ylamine,
3-phenyl-1-p-tolyl-1h-pyrazol-5-amine,
EN300-86791,
AC1NQ7RJ,
AC1Q2LCM,
Oprea1_274105,
CTK6B8619,
DTXSID50409327,
ZINC2566714,
4574AH,
MFCD00589678,
AKOS005871344,
MCULE-9822643264,
2-(4-methylphenyl)-5-phenylpyrazol-3-amine,
A-8208,
C16H15N3,
CID5191657,
2-(4-methylphenyl)-5-phenyl-pyrazol-3-amine,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.317g/mol |
| Monoisotopic Mass | 249.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number