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

C15H17N3OS — CID 3567868

IUPACN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C15H17N3OS/c1-2-6-14(19)16-15-12-9-20-10-13(12)17-18(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,19)
InChIKeyXRTJAIBHXCHZTL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.36
Rot. Bonds4

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

N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide (PubChem CID 3567868) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
PubChem CID3567868
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C15H17N3OS/c1-2-6-14(19)16-15-12-9-20-10-13(12)17-18(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,19)
InChIKeyXRTJAIBHXCHZTL-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(thiophen-2-yl)acetamide
CID 3677366
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
CID 756242
3-methyl-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756245
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 3340822
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenylacetamide
CID 3373386
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4335648
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 4390646
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4462899
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 4577202
N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4583155
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5140889
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 5159937

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide?
The IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide (CID 3567868) is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide.
What is the SMILES notation for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide?
The canonical SMILES for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide is CCCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide?
The InChIKey is XRTJAIBHXCHZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-6-14(19)16-15-12-9-20-10-13(12)17-18(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,16,19).
What are the key properties of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide?
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide has a molecular weight of 287.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide is sourced from PubChem (CID 3567868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).