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

C20H18FN3O3S — CID 2160378

IUPAC4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1
InChIInChI=1S/C20H18FN3O3S/c1-2-27-16-9-3-13(4-10-16)20(25)22-19-17-11-28(26)12-18(17)23-24(19)15-7-5-14(21)6-8-15/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyRVPJOUDIVFIFBK-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.42
Rot. Bonds5

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

4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 2160378) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID2160378
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1
InChIInChI=1S/C20H18FN3O3S/c1-2-27-16-9-3-13(4-10-16)20(25)22-19-17-11-28(26)12-18(17)23-24(19)15-7-5-14(21)6-8-15/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyRVPJOUDIVFIFBK-UHFFFAOYSA-N
XLogP3.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 756305
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 2050867
2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 2050900
2-(3,4-dimethoxyphenyl)-N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160213
N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 2160232
N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-phenoxyacetamide
CID 2160297
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 2160307
2-(4-methoxyphenyl)-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160308
4-bromo-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160339

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 2160378) is 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is RVPJOUDIVFIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-2-27-16-9-3-13(4-10-16)20(25)22-19-17-11-28(26)12-18(17)23-24(19)15-7-5-14(21)6-8-15/h3-10H,2,11-12H2,1H3,(H,22,25).
What are the key properties of 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 2160378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).