1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H20F4N4O3S — CID 112813716

IUPAC1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C22H20F4N4O3S/c23-18-6-2-3-7-19(18)30-20(22(24,25)26)17(14-27-30)21(31)28-15-8-10-16(11-9-15)34(32,33)29-12-4-1-5-13-29/h2-3,6-11,14H,1,4-5,12-13H2,(H,28,31)
InChIKeyHAGFDIOUYQTQQS-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.46
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112813716) has the molecular formula C22H20F4N4O3S and a molecular weight of 496.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID112813716
Molecular FormulaC22H20F4N4O3S
Molecular Weight496.49 g/mol
Exact Mass496.12
IUPAC Name1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C22H20F4N4O3S/c23-18-6-2-3-7-19(18)30-20(22(24,25)26)17(14-27-30)21(31)28-15-8-10-16(11-9-15)34(32,33)29-12-4-1-5-13-29/h2-3,6-11,14H,1,4-5,12-13H2,(H,28,31)
InChIKeyHAGFDIOUYQTQQS-UHFFFAOYSA-N
XLogP4.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573032
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
1-(2-fluorophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821467
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688274
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
1-(2-fluorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136522603
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
1-(2-fluorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112820470

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112813716) is 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HAGFDIOUYQTQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3S/c23-18-6-2-3-7-19(18)30-20(22(24,25)26)17(14-27-30)21(31)28-15-8-10-16(11-9-15)34(32,33)29-12-4-1-5-13-29/h2-3,6-11,14H,1,4-5,12-13H2,(H,28,31).
What are the key properties of 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112813716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).