| CAS Number | 1342274-70-7 |
| Catalog Number | AG01A4IK(AGN-PC-0WO27K) |
| Chemical Name | 1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine |
| IUPAC Name | 1-(4-methoxyphenyl)-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H13N3O/c1-8-7-11(12)13-14(8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3,(H2,12,13) |
| InChI Key | LRRKUEBIDLOQBX-UHFFFAOYSA-N |
| MDL Number | MFCD11878530 |
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.2404 |
| SMILES | COC1=CC=C(N2C(C)=CC(N)=N2)C=C1 |
| Synonyms | 1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine,
1342274-70-7,
ZINC59917934,
AKOS012474834,
NE49558,
|
| Complexity | 204 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.245g/mol |
| Monoisotopic Mass | 203.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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