| CAS Number | 1017665-64-3 |
| Catalog Number | AG00949E(AGN-PC-0WA812) |
| Chemical Name | 3-Amino-5-(3,4-dimethoxyphenyl)-2-methylpyrazole |
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-amine |
| InChI | InChI=1S/C12H15N3O2/c1-15-12(13)7-9(14-15)8-4-5-10(16-2)11(6-8)17-3/h4-7H,13H2,1-3H3 |
| InChI Key | VKVFNEGAFWMOFI-UHFFFAOYSA-N |
| MDL Number | MFCD09703235 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | COC1=C(OC)C=C(C2=NN(C)C(N)=C2)C=C1 |
| Synonyms | 3-Amino-5-(3,4-dimethoxyphenyl)-2-methylpyrazole,
1017665-64-3,
KM3841,
SBB077734,
ZINC11851213,
Z6397,
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-ylamine,
3-(3,4-DIMETHOXYPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE,
C12H15N3O2,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.271g/mol |
| Monoisotopic Mass | 233.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number