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

C17H15N3O3S — CID 756305

IUPACN-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccco2)CS(=O)C3)cc1
InChIInChI=1S/C17H15N3O3S/c1-11-4-6-12(7-5-11)20-16(13-9-24(22)10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyNVVDWRVCYATLJI-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.79
Rot. Bonds3

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

N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 756305) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
PubChem CID756305
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccco2)CS(=O)C3)cc1
InChIInChI=1S/C17H15N3O3S/c1-11-4-6-12(7-5-11)20-16(13-9-24(22)10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyNVVDWRVCYATLJI-UHFFFAOYSA-N
XLogP2.79
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide (CID 756305) is N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide is Cc1ccc(-n2nc3c(c2NC(=O)c2ccco2)CS(=O)C3)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is NVVDWRVCYATLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11-4-6-12(7-5-11)20-16(13-9-24(22)10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide?
N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 756305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).