1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine

C12H15N3O2 — CID 84617686

IUPAC1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
SMILESCOc1ccc(-n2cc(N)c(C)n2)cc1OC
InChIInChI=1S/C12H15N3O2/c1-8-10(13)7-15(14-8)9-4-5-11(16-2)12(6-9)17-3/h4-7H,13H2,1-3H3
InChIKeyOVLJMUBVAJMAQP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine

1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine (PubChem CID 84617686) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
PubChem CID84617686
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
SMILESCOc1ccc(-n2cc(N)c(C)n2)cc1OC
InChIInChI=1S/C12H15N3O2/c1-8-10(13)7-15(14-8)9-4-5-11(16-2)12(6-9)17-3/h4-7H,13H2,1-3H3
InChIKeyOVLJMUBVAJMAQP-UHFFFAOYSA-N
XLogP1.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
CID 84617710
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758
4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
CID 143874116
2-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 83690319
1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
CID 71098390
2-(3,4-dimethoxyphenyl)triazole
CID 123229175
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
CID 71812350
2-(4-amino-3-methylpyrazol-1-yl)-5-methylphenol
CID 84617650
1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine
CID 83203098

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine (CID 84617686) is 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine is COc1ccc(-n2cc(N)c(C)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine?
The InChIKey is OVLJMUBVAJMAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-10(13)7-15(14-8)9-4-5-11(16-2)12(6-9)17-3/h4-7H,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine?
1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 84617686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).