N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C15H18FN3O3S — CID 84593308

IUPACN-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2ccc(F)cc2)cnn1CC(C)C
InChIInChI=1S/C15H18FN3O3S/c1-10(2)9-19-11(3)14(8-17-19)15(20)18-23(21,22)13-6-4-12(16)5-7-13/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyUDRLADQUTPFFTR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.11
Rot. Bonds5

About N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 84593308) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID84593308
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2ccc(F)cc2)cnn1CC(C)C
InChIInChI=1S/C15H18FN3O3S/c1-10(2)9-19-11(3)14(8-17-19)15(20)18-23(21,22)13-6-4-12(16)5-7-13/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyUDRLADQUTPFFTR-UHFFFAOYSA-N
XLogP2.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 138115366
1-ethyl-4-{[(4-fluorophenyl)sulfonyl]amino}-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19584457
1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34643575
1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34644882
N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75396959
1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 110246592
N-(benzenesulfonyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166626972
N-(benzenesulfonyl)-1-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166631283
N-methylsulfonyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166632229
3-(difluoromethyl)-1-methyl-N-(p-tolylsulfinyl)-1H-pyrazole-4-carboxamide
CID 171661698

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 84593308) is N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NS(=O)(=O)c2ccc(F)cc2)cnn1CC(C)C.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is UDRLADQUTPFFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-10(2)9-19-11(3)14(8-17-19)15(20)18-23(21,22)13-6-4-12(16)5-7-13/h4-8,10H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 84593308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).