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

C16H19N3O2S — CID 756261

IUPAC2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(C)C)CS(=O)C3)cc1
InChIInChI=1S/C16H19N3O2S/c1-10(2)16(20)17-15-13-8-22(21)9-14(13)18-19(15)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,20)
InChIKeyCAYVZNODFNPEGV-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.54
Rot. Bonds3

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

2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (PubChem CID 756261) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
PubChem CID756261
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(C)C)CS(=O)C3)cc1
InChIInChI=1S/C16H19N3O2S/c1-10(2)16(20)17-15-13-8-22(21)9-14(13)18-19(15)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,20)
InChIKeyCAYVZNODFNPEGV-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide (CID 756261) is 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)CS(=O)C3)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
The InChIKey is CAYVZNODFNPEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10(2)16(20)17-15-13-8-22(21)9-14(13)18-19(15)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide?
2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide is sourced from PubChem (CID 756261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).