1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H12F4N4O3S — CID 90887523

IUPAC1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1
InChIInChI=1S/C17H12F4N4O3S/c18-10-3-1-5-12(7-10)25-15(17(19,20)21)14(9-23-25)16(26)24-11-4-2-6-13(8-11)29(22,27)28/h1-9H,(H,24,26)(H2,22,27,28)
InChIKeyFPEAORNWNRVIOR-UHFFFAOYSA-N
MW428.37 g/mol
LogP2.93
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90887523) has the molecular formula C17H12F4N4O3S and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90887523
Molecular FormulaC17H12F4N4O3S
Molecular Weight428.37 g/mol
Exact Mass428.06
IUPAC Name1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1
InChIInChI=1S/C17H12F4N4O3S/c18-10-3-1-5-12(7-10)25-15(17(19,20)21)14(9-23-25)16(26)24-11-4-2-6-13(8-11)29(22,27)28/h1-9H,(H,24,26)(H2,22,27,28)
InChIKeyFPEAORNWNRVIOR-UHFFFAOYSA-N
XLogP2.93
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
N-[3-(carbamoylamino)phenyl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33439470
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58866198
[3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]boronic acid
CID 58866199
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24664619
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 90887523) is 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FPEAORNWNRVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O3S/c18-10-3-1-5-12(7-10)25-15(17(19,20)21)14(9-23-25)16(26)24-11-4-2-6-13(8-11)29(22,27)28/h1-9H,(H,24,26)(H2,22,27,28).
What are the key properties of 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-sulfamoylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90887523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).