2-(3,4-dimethoxyphenyl)pyrazol-3-amine

C11H13N3O2 — CID 83690319

IUPAC2-(3,4-dimethoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-n2nccc2N)cc1OC
InChIInChI=1S/C11H13N3O2/c1-15-9-4-3-8(7-10(9)16-2)14-11(12)5-6-13-14/h3-7H,12H2,1-2H3
InChIKeyWONANWLBVSCVRC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.47
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)pyrazol-3-amine

2-(3,4-dimethoxyphenyl)pyrazol-3-amine (PubChem CID 83690319) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)pyrazol-3-amine
PubChem CID83690319
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3,4-dimethoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-n2nccc2N)cc1OC
InChIInChI=1S/C11H13N3O2/c1-15-9-4-3-8(7-10(9)16-2)14-11(12)5-6-13-14/h3-7H,12H2,1-2H3
InChIKeyWONANWLBVSCVRC-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

2-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 67052556
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758
2-(3,4-dimethoxyphenyl)triazole
CID 123229175
2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine
CID 3154159
1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
CID 84617686
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973
1-(3-bromo-4-methoxyphenyl)tetrazol-5-amine
CID 79507108
2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
CID 12569276
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413
2-methoxy-5-(triazol-2-yl)aniline
CID 84662609
1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
CID 107623543
1-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)triazole-4-carbonitrile
CID 82199546

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)pyrazol-3-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)pyrazol-3-amine (CID 83690319) is 2-(3,4-dimethoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)pyrazol-3-amine is COc1ccc(-n2nccc2N)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)pyrazol-3-amine?
The InChIKey is WONANWLBVSCVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-9-4-3-8(7-10(9)16-2)14-11(12)5-6-13-14/h3-7H,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)pyrazol-3-amine?
2-(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 2-(3,4-dimethoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 83690319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).