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

C16H13N3O2S — CID 4123559

IUPACN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccco1
InChIInChI=1S/C16H13N3O2S/c20-16(14-7-4-8-21-14)17-15-12-9-22-10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
InChIKeyOHQXHCUBXRFCGE-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.46
Rot. Bonds3

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

N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 4123559) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
PubChem CID4123559
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccco1
InChIInChI=1S/C16H13N3O2S/c20-16(14-7-4-8-21-14)17-15-12-9-22-10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
InChIKeyOHQXHCUBXRFCGE-UHFFFAOYSA-N
XLogP3.46
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (CID 4123559) is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccco1.
What is the InChIKey of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is OHQXHCUBXRFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-16(14-7-4-8-21-14)17-15-12-9-22-10-13(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-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 4123559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).