4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid

C19H17N3O2 — CID 11324635

IUPAC4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C19H17N3O2/c23-19(24)15-8-6-14(7-9-15)18-16-11-22(12-17(16)20-21-18)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21)(H,23,24)
InChIKeyRWSNOFMPYMYZMT-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.29
Rot. Bonds4

About 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid

4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid (PubChem CID 11324635) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid
PubChem CID11324635
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C19H17N3O2/c23-19(24)15-8-6-14(7-9-15)18-16-11-22(12-17(16)20-21-18)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21)(H,23,24)
InChIKeyRWSNOFMPYMYZMT-UHFFFAOYSA-N
XLogP3.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid 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

4-(6-(((4-Methylcyclohexyl)amino)methyl)-1,4-dihydroindeno(1,2-C)pyrazol-3-YL)benzoic acid
CID 9844011
Methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 3436636
4-(6-((Neopentylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
CID 10068075
4-(6-(Neopentylcarbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
CID 10430419
4-(6-((4-Hydroxypiperidin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
CID 10475450
4-[4-(4-Ethylphenyl)-6-oxo-3-phenyl-1H,4H-pyrrolo[3,4-C]pyrazol-5-YL]benzoic acid
CID 16020038
4-[3-(4-methylphenyl)-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
CID 16195483
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid
CID 892459
5-Benzyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 44441328
4-{[3-(2H-Pyrazol-3-ylmethyl)piperidin-1-YL]methyl}benzoic acid
CID 110106383
4-[1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 72838671
4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid
CID 67400510

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid (CID 11324635) is 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid is O=C(O)c1ccc(-c2n[nH]c3c2CN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid?
The InChIKey is RWSNOFMPYMYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(24)15-8-6-14(7-9-15)18-16-11-22(12-17(16)20-21-18)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,21)(H,23,24).
What are the key properties of 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid?
4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzoic acid is sourced from PubChem (CID 11324635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).