5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one

C11H13N3O3 — CID 82389502

IUPAC5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one
SMILESCOc1ccc(OC)c(N2N=C(N)CC2=O)c1
InChIInChI=1S/C11H13N3O3/c1-16-7-3-4-9(17-2)8(5-7)14-11(15)6-10(12)13-14/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyVREMWIJMEATJCO-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.71
Rot. Bonds3

About 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one

5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one (PubChem CID 82389502) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one
PubChem CID82389502
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one
SMILESCOc1ccc(OC)c(N2N=C(N)CC2=O)c1
InChIInChI=1S/C11H13N3O3/c1-16-7-3-4-9(17-2)8(5-7)14-11(15)6-10(12)13-14/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyVREMWIJMEATJCO-UHFFFAOYSA-N
XLogP0.71
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 82159648
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
CID 117013938
(1S,2R,6R,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98477124
(1S,2S,6S,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306131
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 42803990
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
(1R,2R,6R,7R)-4-(2,5-dimethoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98762580
5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
CID 63034560

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one (CID 82389502) is 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one is COc1ccc(OC)c(N2N=C(N)CC2=O)c1.
What is the InChIKey of 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one?
The InChIKey is VREMWIJMEATJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-7-3-4-9(17-2)8(5-7)14-11(15)6-10(12)13-14/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one?
5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one has a molecular weight of 235.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 82389502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).