1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide

C18H16FN3O3S — CID 37391342

IUPAC1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)26(2,24)25/h3-11H,1-2H3,(H,21,23)
InChIKeyARQNCGIGTBDFET-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 37391342) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID37391342
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)26(2,24)25/h3-11H,1-2H3,(H,21,23)
InChIKeyARQNCGIGTBDFET-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330
N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850353
N-(3,5-difluorophenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850668
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
1-(4-fluorophenyl)-5-methyl-N-(2-{[3-(trifluoromethyl)benzyl]sulfanyl}ethyl)-1H-pyrazole-4-carboxamide
CID 2810788
N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 2813248
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 33948297
1-(4-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33948326

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 37391342) is 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is ARQNCGIGTBDFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)26(2,24)25/h3-11H,1-2H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37391342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).