| CAS Number | 926258-08-4 |
| Catalog Number | AG019L9S |
| Chemical Name | 3-(2-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(2-methoxyphenyl)-2-(4-methylphenyl)pyrazol-3-amine |
| InChI | InChI=1S/C17H17N3O/c1-12-7-9-13(10-8-12)20-17(18)11-15(19-20)14-5-3-4-6-16(14)21-2/h3-11H,18H2,1-2H3 |
| InChI Key | JQMOELBNNICWNV-UHFFFAOYSA-N |
| MDL Number | MFCD08443000 |
| Molecular Formula | C17H17N3O |
| Molecular Weight | 279.3364 |
| SMILES | COC1=C(C2=NN(C3=CC=C(C)C=C3)C(N)=C2)C=CC=C1 |
| Synonyms | 3-(2-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine,
926258-08-4,
CTK7B0940,
AC1Q4520,
ZINC19689085,
AKOS000126047,
MCULE-9535241356,
NE25275,
EN300-30550,
3-(2-methoxyphenyl)-1-p-tolyl-1H-pyrazol-5-amine,
Z316170482,
|
| 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