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

C15H16FN3O2S — CID 756278

IUPACN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
InChIInChI=1S/C15H16FN3O2S/c1-2-3-14(20)17-15-12-8-22(21)9-13(12)18-19(15)11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyUQTGHDHVCXHTKE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.51
Rot. Bonds4

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

N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (PubChem CID 756278) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
PubChem CID756278
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
InChIInChI=1S/C15H16FN3O2S/c1-2-3-14(20)17-15-12-8-22(21)9-13(12)18-19(15)11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyUQTGHDHVCXHTKE-UHFFFAOYSA-N
XLogP2.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (CID 756278) is N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is CCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The InChIKey is UQTGHDHVCXHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-2-3-14(20)17-15-12-8-22(21)9-13(12)18-19(15)11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide has a molecular weight of 321.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is sourced from PubChem (CID 756278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).