3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide

C20H24FN3O2S — CID 2160265

IUPAC3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
InChIInChI=1S/C20H24FN3O2S/c21-15-7-9-16(10-8-15)24-20(17-12-27(26)13-18(17)23-24)22-19(25)11-6-14-4-2-1-3-5-14/h7-10,14H,1-6,11-13H2,(H,22,25)
InChIKeyAYIUCVCFEKOUAV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.07
Rot. Bonds5

About 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide

3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 2160265) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID2160265
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
InChIInChI=1S/C20H24FN3O2S/c21-15-7-9-16(10-8-15)24-20(17-12-27(26)13-18(17)23-24)22-19(25)11-6-14-4-2-1-3-5-14/h7-10,14H,1-6,11-13H2,(H,22,25)
InChIKeyAYIUCVCFEKOUAV-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide 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 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 2160265) is 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2.
What is the InChIKey of 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is AYIUCVCFEKOUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-15-7-9-16(10-8-15)24-20(17-12-27(26)13-18(17)23-24)22-19(25)11-6-14-4-2-1-3-5-14/h7-10,14H,1-6,11-13H2,(H,22,25).
What are the key properties of 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 2160265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).