4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C14H15N3O3 — CID 5309036

IUPAC4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)c(OC)c1
InChIInChI=1S/C14H15N3O3/c1-7-11-12(15-14(18)13(11)17-16-7)9-5-4-8(19-2)6-10(9)20-3/h4-6,12H,1-3H3,(H,15,18)(H,16,17)
InChIKeyJAZCXHKZMXDIES-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.57
Rot. Bonds3

About 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 5309036) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID5309036
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)c(OC)c1
InChIInChI=1S/C14H15N3O3/c1-7-11-12(15-14(18)13(11)17-16-7)9-5-4-8(19-2)6-10(9)20-3/h4-6,12H,1-3H3,(H,15,18)(H,16,17)
InChIKeyJAZCXHKZMXDIES-UHFFFAOYSA-N
XLogP1.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-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

Ethyl 4-[4-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 662514
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 666602
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309050
3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 136016451
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 134363571
US11066365, Example 55
CID 134363575
N-[(3R)-1-cyanopyrrolidin-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 134363666
US10022354, Example 160
CID 121279435
US10022354, Example 158
CID 121279665
N-[(3R)-1-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168297307
3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 4860231

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 5309036) is 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is COc1ccc(C2NC(=O)c3n[nH]c(C)c32)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is JAZCXHKZMXDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-11-12(15-14(18)13(11)17-16-7)9-5-4-8(19-2)6-10(9)20-3/h4-6,12H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 273.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 5309036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).