| CAS Number | 890764-06-4 |
| Catalog Number | AG019L9R(AGN-PC-00B95Q) |
| Chemical Name | 3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(3-methoxyphenyl)-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C16H15N3O/c1-20-14-9-5-6-12(10-14)15-11-16(17)19(18-15)13-7-3-2-4-8-13/h2-11H,17H2,1H3 |
| InChI Key | JOSMETGXYNXIKO-UHFFFAOYSA-N |
| MDL Number | MFCD00114186 |
| Molecular Formula | C16H15N3O |
| Molecular Weight | 265.3098 |
| SMILES | COC1=CC(C2=NN(C3=CC=CC=C3)C(N)=C2)=CC=C1 |
| Synonyms | 3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine,
890764-06-4,
AC1Q47T9,
CTK7A9279,
ZINC19689121,
AKOS000126912,
MCULE-8624417871,
NE17509,
EN300-30549,
CID11543518,
5-(3-methoxyphenyl)-2-phenyl-pyrazol-3-amine,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.316g/mol |
| Monoisotopic Mass | 265.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number