1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide

C26H25FN4O3S — CID 31892928

IUPAC1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O3S/c1-18(2)25-24(17-28-31(25)22-14-12-19(27)13-15-22)26(32)29-20-8-7-11-23(16-20)35(33,34)30(3)21-9-5-4-6-10-21/h4-18H,1-3H3,(H,29,32)
InChIKeyBRSBMNFQJOLWFD-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.21
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 31892928) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID31892928
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC Name1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O3S/c1-18(2)25-24(17-28-31(25)22-14-12-19(27)13-15-22)26(32)29-20-8-7-11-23(16-20)35(33,34)30(3)21-9-5-4-6-10-21/h4-18H,1-3H3,(H,29,32)
InChIKeyBRSBMNFQJOLWFD-UHFFFAOYSA-N
XLogP5.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 31892941
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55882154
N-[3-(tert-butylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52577954
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31887523
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 31892928) is 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BRSBMNFQJOLWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-18(2)25-24(17-28-31(25)22-14-12-19(27)13-15-22)26(32)29-20-8-7-11-23(16-20)35(33,34)30(3)21-9-5-4-6-10-21/h4-18H,1-3H3,(H,29,32).
What are the key properties of 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31892928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).