1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide

C11H10FN3O3S — CID 175821975

IUPAC1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
SMILESCS(=O)(=O)c1cc(C(N)=O)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O3S/c1-19(17,18)10-6-9(11(13)16)14-15(10)8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,16)
InChIKeyVVWXCWZVXQCPCY-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.51
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide

1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide (PubChem CID 175821975) has the molecular formula C11H10FN3O3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
PubChem CID175821975
Molecular FormulaC11H10FN3O3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
SMILESCS(=O)(=O)c1cc(C(N)=O)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O3S/c1-19(17,18)10-6-9(11(13)16)14-15(10)8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,16)
InChIKeyVVWXCWZVXQCPCY-UHFFFAOYSA-N
XLogP0.51
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 10830058
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
ethyl 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carboxylate
CID 10548663
5-amino-1-(3-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 82589417
4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide
CID 57334620
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
CID 166467976
1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166817552
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
ethane;methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088150

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide (CID 175821975) is 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide is CS(=O)(=O)c1cc(C(N)=O)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide?
The InChIKey is VVWXCWZVXQCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3S/c1-19(17,18)10-6-9(11(13)16)14-15(10)8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,16).
What are the key properties of 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide is sourced from PubChem (CID 175821975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).