5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide

C25H23FN4O3S — CID 31892941

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3S/c1-3-24-23(17-27-30(24)21-14-12-18(26)13-15-21)25(31)28-19-8-7-11-22(16-19)34(32,33)29(2)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,28,31)
InChIKeyQMHDYJUEYKOOAE-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.65
Rot. Bonds7

About 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide (PubChem CID 31892941) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
PubChem CID31892941
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3S/c1-3-24-23(17-27-30(24)21-14-12-18(26)13-15-21)25(31)28-19-8-7-11-22(16-19)34(32,33)29(2)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,28,31)
InChIKeyQMHDYJUEYKOOAE-UHFFFAOYSA-N
XLogP4.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 31892928
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55799776
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
5-ethyl-1-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 55581735
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
CID 91236728

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide (CID 31892941) is 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is QMHDYJUEYKOOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-3-24-23(17-27-30(24)21-14-12-18(26)13-15-21)25(31)28-19-8-7-11-22(16-19)34(32,33)29(2)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,28,31).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31892941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).