N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide

C18H16FN3O3S — CID 10619341

IUPACN-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-12(23)20-18-11-17(13-3-9-16(10-4-13)26(2,24)25)22(21-18)15-7-5-14(19)6-8-15/h3-11H,1-2H3,(H,20,21,23)
InChIKeyWWKRAFMFFKHIMZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide

N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide (PubChem CID 10619341) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide
PubChem CID10619341
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-12(23)20-18-11-17(13-3-9-16(10-4-13)26(2,24)25)22(21-18)15-7-5-14(19)6-8-15/h3-11H,1-2H3,(H,20,21,23)
InChIKeyWWKRAFMFFKHIMZ-UHFFFAOYSA-N
XLogP3.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-{4-[4-(propan-2-yl)benzenesulfonyl]phenyl}-1H-pyrazol-5-amine
CID 2411018
3-cyclohexyl-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propanamide
CID 2160265
1-[4-(4-ethylbenzenesulfonyl)phenyl]-3-methyl-1H-pyrazol-5-amine
CID 2411008
3-cyclohexyl-N-[2-(4-fluorophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 3243981
2-cyclohexyl-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 3245890
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(methylsulfonyl)benzamide
CID 25102663
N-[1-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide;hydrochloride
CID 71602637
N-(4-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]sulfonyl}phenyl)acetamide
CID 2815270
(3S)-N-[5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476767
1-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]thiane-4-carboxamide
CID 89476774
1,1-dioxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]thiolane-3-carboxamide
CID 89476775

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide (CID 10619341) is N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide is CC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is WWKRAFMFFKHIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12(23)20-18-11-17(13-3-9-16(10-4-13)26(2,24)25)22(21-18)15-7-5-14(19)6-8-15/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide?
N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 10619341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).