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

C11H13N3O2 — CID 82392973

IUPAC1-(3,4-dimethoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-n2ccc(N)n2)cc1OC
InChIInChI=1S/C11H13N3O2/c1-15-9-4-3-8(7-10(9)16-2)14-6-5-11(12)13-14/h3-7H,1-2H3,(H2,12,13)
InChIKeyUPOPPBQFJDCIBR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.47
Rot. Bonds3

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

1-(3,4-dimethoxyphenyl)pyrazol-3-amine (PubChem CID 82392973) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)pyrazol-3-amine
PubChem CID82392973
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(3,4-dimethoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-n2ccc(N)n2)cc1OC
InChIInChI=1S/C11H13N3O2/c1-15-9-4-3-8(7-10(9)16-2)14-6-5-11(12)13-14/h3-7H,1-2H3,(H2,12,13)
InChIKeyUPOPPBQFJDCIBR-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
CID 84617686
1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
CID 102942955
[difluoro-[1-(4-methoxy-3-methylphenyl)pyrazol-3-yl]methyl]phosphane
CID 129109919
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758
2-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 83690319
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320
2-(3,4-dimethoxyphenyl)triazole
CID 123229175
1-(2-chloro-4-pyridinyl)pyrazol-3-amine
CID 134589171
1-[4-(3-aminopyrazol-1-yl)phenyl]ethanone
CID 90435469
1-(3-chloro-4-methoxyphenyl)pyrazole-3-carbonitrile
CID 116818289
1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
CID 71098390

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)pyrazol-3-amine (CID 82392973) is 1-(3,4-dimethoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)pyrazol-3-amine is COc1ccc(-n2ccc(N)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)pyrazol-3-amine?
The InChIKey is UPOPPBQFJDCIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-9-4-3-8(7-10(9)16-2)14-6-5-11(12)13-14/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 1-(3,4-dimethoxyphenyl)pyrazol-3-amine?
1-(3,4-dimethoxyphenyl)pyrazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 1.47, 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)pyrazol-3-amine is sourced from PubChem (CID 82392973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).