3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide

C20H25N3O2S — CID 11863383

IUPAC3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@](=O)C3)cc1
InChIInChI=1S/C20H25N3O2S/c1-14-6-9-16(10-7-14)23-20(17-12-26(25)13-18(17)22-23)21-19(24)11-8-15-4-2-3-5-15/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,21,24)/t26-/m0/s1
InChIKeyXNCJMVNVYKTWOH-SANMLTNESA-N
MW371.51 g/mol
LogP3.85
Rot. Bonds5

About 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide

3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 11863383) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID11863383
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@](=O)C3)cc1
InChIInChI=1S/C20H25N3O2S/c1-14-6-9-16(10-7-14)23-20(17-12-26(25)13-18(17)22-23)21-19(24)11-8-15-4-2-3-5-15/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,21,24)/t26-/m0/s1
InChIKeyXNCJMVNVYKTWOH-SANMLTNESA-N
XLogP3.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 11863383) is 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@](=O)C3)cc1.
What is the InChIKey of 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is XNCJMVNVYKTWOH-SANMLTNESA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-6-9-16(10-7-14)23-20(17-12-26(25)13-18(17)22-23)21-19(24)11-8-15-4-2-3-5-15/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,21,24)/t26-/m0/s1.
What are the key properties of 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 371.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 11863383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).