N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

C13H16FN3O3S — CID 23050762

IUPACN-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2F)C(C)(C)C1
InChIInChI=1S/C13H16FN3O3S/c1-9-8-13(2,3)17(15-9)12(18)16-21(19,20)11-7-5-4-6-10(11)14/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyIMJJHNWGMCSLRV-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.08
Rot. Bonds2

About N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (PubChem CID 23050762) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
PubChem CID23050762
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2ccccc2F)C(C)(C)C1
InChIInChI=1S/C13H16FN3O3S/c1-9-8-13(2,3)17(15-9)12(18)16-21(19,20)11-7-5-4-6-10(11)14/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyIMJJHNWGMCSLRV-UHFFFAOYSA-N
XLogP2.08
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)sulfonyl-3-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050737
N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050742
N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
CID 23050744
4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050761
N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050770
5-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050802
N-(2,6-difluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050806
5-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050812
N-(2,6-difluorophenyl)sulfonyl-4-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050831
N-(2,6-difluorophenyl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboxamide
CID 23050836
1-(2,6-Difluorophenylsulphonylcarbamoyl)-3-methyl-2-pyrazoline
CID 23050855
5,5-dimethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-4H-pyrazole-1-carboxamide
CID 23050861

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (CID 23050762) is N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2ccccc2F)C(C)(C)C1.
What is the InChIKey of N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is IMJJHNWGMCSLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-9-8-13(2,3)17(15-9)12(18)16-21(19,20)11-7-5-4-6-10(11)14/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 23050762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).