N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide

C16H20FN3O3S — CID 19931829

IUPACN-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCN(C)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H20FN3O3S/c1-6-19(5)16(21)20-9-13(17)15(18-20)24(22,23)14-11(3)7-10(2)8-12(14)4/h7-9H,6H2,1-5H3
InChIKeyPHWGOEZUIGIRKC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.70
Rot. Bonds3

About N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide

N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide (PubChem CID 19931829) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
PubChem CID19931829
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC NameN-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCN(C)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H20FN3O3S/c1-6-19(5)16(21)20-9-13(17)15(18-20)24(22,23)14-11(3)7-10(2)8-12(14)4/h7-9H,6H2,1-5H3
InChIKeyPHWGOEZUIGIRKC-UHFFFAOYSA-N
XLogP2.70
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonyl-4-fluoropyrazole-1-carboxamide
CID 19931792
3-(2,6-dimethylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19931796
N,N-diethyl-4-fluoro-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931798
N,N-diethyl-3-(2-fluorophenyl)sulfonylpyrazole-1-carboxamide
CID 19931799
4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931800
4-fluoro-N,N-dimethyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931812
4-chloro-N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931821
4-chloro-N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931831
N,N-diethyl-3-[2-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931849
3-(2,6-dimethylphenyl)sulfonyl-4-fluoro-N,N-dimethylpyrazole-1-carboxamide
CID 19931861
N,N-diethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19931874
3-(3,5-difluorophenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19931882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The IUPAC name of N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide (CID 19931829) is N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide is CCN(C)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cc(C)cc2C)n1.
What is the InChIKey of N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
The InChIKey is PHWGOEZUIGIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-6-19(5)16(21)20-9-13(17)15(18-20)24(22,23)14-11(3)7-10(2)8-12(14)4/h7-9H,6H2,1-5H3.
What are the key properties of N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide?
N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-methyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).