| CAS Number | 502132-37-8 |
| Catalog Number | AG01DWGC |
| Chemical Name | 3-(4-methoxy-3-methylphenyl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(4-methoxy-3-methylphenyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H13N3O/c1-7-5-8(3-4-10(7)15-2)9-6-11(12)14-13-9/h3-6H,1-2H3,(H3,12,13,14) |
| InChI Key | XNPMMKCLCJOAAG-UHFFFAOYSA-N |
| MDL Number | MFCD02664215 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | COC1=C(C)C=C(C2=NNC(N)=C2)C=C1 |
| Synonyms | AC1N8YID,
ZINC5593881,
3-(4-methoxy-3-methylphenyl)-1H-pyrazol-5-amine,
5-(4-methoxy-3-methylphenyl)-1H-pyrazol-3-amine,
502132-37-8,
CID4352121,
5-(4-methoxy-3-methyl-phenyl)-1H-pyrazol-3-amine,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number