2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

C15H19N3OS — CID 141273215

IUPAC2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1=CC=CCN1C1CCCC1)CSC2
InChIInChI=1S/C15H19N3OS/c19-15-12-9-20-10-13(12)16-18(15)14-7-3-4-8-17(14)11-5-1-2-6-11/h3-4,7,11,16H,1-2,5-6,8-10H2
InChIKeyWQCCUUWFXLLAKN-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.54
Rot. Bonds2

About 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one

2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (PubChem CID 141273215) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
PubChem CID141273215
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1=CC=CCN1C1CCCC1)CSC2
InChIInChI=1S/C15H19N3OS/c19-15-12-9-20-10-13(12)16-18(15)14-7-3-4-8-17(14)11-5-1-2-6-11/h3-4,7,11,16H,1-2,5-6,8-10H2
InChIKeyWQCCUUWFXLLAKN-UHFFFAOYSA-N
XLogP2.54
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]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

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (CID 141273215) is 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1C1=CC=CCN1C1CCCC1)CSC2.
What is the InChIKey of 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The InChIKey is WQCCUUWFXLLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15-12-9-20-10-13(12)16-18(15)14-7-3-4-8-17(14)11-5-1-2-6-11/h3-4,7,11,16H,1-2,5-6,8-10H2.
What are the key properties of 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one has a molecular weight of 289.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-2H-pyridin-6-yl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 141273215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).