| CAS Number | 956192-11-3 |
| Catalog Number | AG019L86 |
| Chemical Name | 3-(4-methoxyphenyl)-1-(3-methylphenyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(4-methoxyphenyl)-2-(3-methylphenyl)pyrazol-3-amine |
| InChI | InChI=1S/C17H17N3O/c1-12-4-3-5-14(10-12)20-17(18)11-16(19-20)13-6-8-15(21-2)9-7-13/h3-11H,18H2,1-2H3 |
| InChI Key | XDEKZJYGFXHXSY-UHFFFAOYSA-N |
| MDL Number | MFCD08444764 |
| Molecular Formula | C17H17N3O |
| Molecular Weight | 279.3364 |
| SMILES | COC1=CC=C(C2=NN(C3=CC(C)=CC=C3)C(N)=C2)C=C1 |
| Synonyms | 3-(4-methoxyphenyl)-1-(3-methylphenyl)-1H-pyrazol-5-amine,
956192-11-3,
AC1Q4ADE,
CTK7A3298,
ZINC20281271,
AKOS009113684,
MCULE-4783445941,
NE19731,
EN300-30414,
3-(4-methoxyphenyl)-1-m-tolyl-1H-pyrazol-5-amine,
Z228588478,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.343g/mol |
| Monoisotopic Mass | 279.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number