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

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Related Compounds

CID 756242
CID 756242
CID 756245
CID 756245
CID 3340822
CID 3340822
CID 3373386
CID 3373386
CID 4335648
CID 4335648
CID 4390646
CID 4390646
CID 4462899
CID 4462899
CID 4577202
CID 4577202
CID 4583155
CID 4583155
CID 5140889
CID 5140889
CID 5159937
CID 5159937
CID 756241
CID 756241

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).