N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide

C15H18FN3O3S — CID 42109669

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
SMILESCc1cc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H18FN3O3S/c1-11-10-14(19(2)18-11)17-15(20)4-3-9-23(21,22)13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyRYWDYEDVYAALLY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.06
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide

N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 42109669) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID42109669
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide
SMILESCc1cc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H18FN3O3S/c1-11-10-14(19(2)18-11)17-15(20)4-3-9-23(21,22)13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyRYWDYEDVYAALLY-UHFFFAOYSA-N
XLogP2.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 25181481
2-{[3,5-dimethyl-1-(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-1H-pyrazol-4-yl]thio}-N-(4-fluorophenyl)acetamide
CID 135427597
N-(2-(4-fluorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propionamide
CID 4289607
N-[2-(4-fluorophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]butanamide
CID 4548050
N-(2-(4-fluorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4548052
N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butyramide
CID 756278
N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]pentanamide
CID 4548051
N-(2-(4-fluorophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
CID 4548235
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 4876179
N-(1,3-dimethyl-1H-pyrazol-5-yl)-1-(4-fluorobenzenesulfonyl)piperidine-4-carboxamide
CID 25813365
2-((4-fluorophenyl)thio)-N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetamide
CID 30859127
4-((4-fluorophenyl)thio)-N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)butanamide
CID 30859144

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide (CID 42109669) is N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide is Cc1cc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is RYWDYEDVYAALLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-11-10-14(19(2)18-11)17-15(20)4-3-9-23(21,22)13-7-5-12(16)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide?
N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 339.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 42109669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).