5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H19N3OS — CID 43856064

IUPAC5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccccc3)c2C(c2cccs2)N1C1CCCC1
InChIInChI=1S/C20H19N3OS/c24-20-18-16(17(21-22-18)13-7-2-1-3-8-13)19(15-11-6-12-25-15)23(20)14-9-4-5-10-14/h1-3,6-8,11-12,14,19H,4-5,9-10H2,(H,21,22)
InChIKeyOJTZUGCOASZLNR-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.63
Rot. Bonds3

About 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43856064) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43856064
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccccc3)c2C(c2cccs2)N1C1CCCC1
InChIInChI=1S/C20H19N3OS/c24-20-18-16(17(21-22-18)13-7-2-1-3-8-13)19(15-11-6-12-25-15)23(20)14-9-4-5-10-14/h1-3,6-8,11-12,14,19H,4-5,9-10H2,(H,21,22)
InChIKeyOJTZUGCOASZLNR-UHFFFAOYSA-N
XLogP4.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43856064) is 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccccc3)c2C(c2cccs2)N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is OJTZUGCOASZLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20-18-16(17(21-22-18)13-7-2-1-3-8-13)19(15-11-6-12-25-15)23(20)14-9-4-5-10-14/h1-3,6-8,11-12,14,19H,4-5,9-10H2,(H,21,22).
What are the key properties of 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 349.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-phenyl-4-thiophen-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43856064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).