3-Amino-5-(3,4-dimethoxyphenyl)-2-methylpyrazole - CAS 1017665-64-3
Catalog: |
BB054916 |
Product Name: |
3-Amino-5-(3,4-dimethoxyphenyl)-2-methylpyrazole |
CAS: |
1017665-64-3 |
Synonyms: |
3-Amino-5-(3,4-dimethoxyphenyl)-2-methylpyrazole; 5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-amine; 3-(3,4-DIMETHOXYPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE |
IUPAC Name: | 5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-amine |
Molecular Weight: | 233.27 |
Molecular Formula: | C12H15N3O2 |
Canonical SMILES: | CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)N |
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 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.11642673 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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