| CAS Number | 895011-47-9 |
| Catalog Number | AG0041OX(AGN-PC-0WB4WO) |
| Chemical Name | 1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(4-methylphenyl)-4-phenylpyrazol-3-amine |
| InChI | InChI=1S/C16H15N3/c1-12-7-9-14(10-8-12)19-16(17)15(11-18-19)13-5-3-2-4-6-13/h2-11H,17H2,1H3 |
| InChI Key | NPSQXXZREWTALG-UHFFFAOYSA-N |
| MDL Number | MFCD06135871 |
| Molecular Formula | C16H15N3 |
| Molecular Weight | 249.3104 |
| SMILES | C1(N)N(C2C=CC(=CC=2)C)N=CC=1C1C=CC=CC=1 |
| Synonyms | 895011-47-9,
1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-amine,
4-Phenyl-1-(p-tolyl)-1H-pyrazol-5-amine,
4-Phenyl-1-p-tolyl-1H-pyrazol-5-amine,
CTK5G3202,
DTXSID90586121,
CHEMBRDG-BB 7959811,
ZINC8569816,
ZX-CM017570,
BBL003597,
MFCD06135871,
STK234824,
AKOS003346874,
MCULE-8633888104,
AJ-57632,
Y-2070,
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| 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 | 3.5 |
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