| CAS Number | 1159606-11-7 |
| Catalog Number | AG01BXOF |
| Chemical Name | 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine |
| IUPAC Name | 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H13N3O/c1-7-10(11(12)14-13-7)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,12,13,14) |
| InChI Key | ULNKGGFYYAFXOM-UHFFFAOYSA-N |
| MDL Number | MFCD16305362 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | COC1=CC(C2C(N)=NNC=2C)=CC=C1 |
| Synonyms | 4-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine,
1159606-11-7,
SBB083115,
ZINC22126334,
AKOS002657782,
4-(3-methoxyphenyl)-3-methylpyrazole-5-ylamine,
4-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine,
Z2689172057,
|
| 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