N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

C16H13N3O3S — CID 2160447

IUPACN-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)C2)c1ccco1
InChIInChI=1S/C16H13N3O3S/c20-16(14-7-4-8-22-14)17-15-12-9-23(21)10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
InChIKeyIITBWSRSXZTETA-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.48
Rot. Bonds3

About N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide

N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 2160447) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
PubChem CID2160447
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)C2)c1ccco1
InChIInChI=1S/C16H13N3O3S/c20-16(14-7-4-8-22-14)17-15-12-9-23(21)10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
InChIKeyIITBWSRSXZTETA-UHFFFAOYSA-N
XLogP2.48
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (CID 2160447) is N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)C2)c1ccco1.
What is the InChIKey of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is IITBWSRSXZTETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-16(14-7-4-8-22-14)17-15-12-9-23(21)10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20).
What are the key properties of N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 2160447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).