5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide

C15H19N3O3S — CID 60545454

IUPAC5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCS(C)(=O)=O)cnn1-c1ccccc1
InChIInChI=1S/C15H19N3O3S/c1-3-14-13(15(19)16-9-10-22(2,20)21)11-17-18(14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyJPYQLMCROHWDNI-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.21
Rot. Bonds6

About 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide

5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 60545454) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID60545454
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCS(C)(=O)=O)cnn1-c1ccccc1
InChIInChI=1S/C15H19N3O3S/c1-3-14-13(15(19)16-9-10-22(2,20)21)11-17-18(14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyJPYQLMCROHWDNI-UHFFFAOYSA-N
XLogP1.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569976
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide
CID 111102770
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55946238
5-ethyl-1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyrazole-4-carboxamide
CID 46455840
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide
CID 111436240
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37071332

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide (CID 60545454) is 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCCS(C)(=O)=O)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is JPYQLMCROHWDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-14-13(15(19)16-9-10-22(2,20)21)11-17-18(14)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60545454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).