N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

C16H19N3O3S — CID 756279

IUPACN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2
InChIInChI=1S/C16H19N3O3S/c1-3-4-15(20)17-16-13-9-23(21)10-14(13)18-19(16)11-5-7-12(22-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyLWDRUQBIMLEZFD-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (PubChem CID 756279) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
PubChem CID756279
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2
InChIInChI=1S/C16H19N3O3S/c1-3-4-15(20)17-16-13-9-23(21)10-14(13)18-19(16)11-5-7-12(22-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyLWDRUQBIMLEZFD-UHFFFAOYSA-N
XLogP2.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (CID 756279) is N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The InChIKey is LWDRUQBIMLEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-4-15(20)17-16-13-9-23(21)10-14(13)18-19(16)11-5-7-12(22-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide has a molecular weight of 333.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is sourced from PubChem (CID 756279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).