3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide

C19H19F4N3O3S — CID 166343154

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C2CC3CCC2C3)n1
InChIInChI=1S/C19H19F4N3O3S/c1-26-9-14(17(24-26)13-7-10-2-3-11(13)6-10)18(27)25-30(28,29)12-4-5-16(20)15(8-12)19(21,22)23/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,25,27)
InChIKeyYYUMVTJUTMDKIN-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.60
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide

3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide (PubChem CID 166343154) has the molecular formula C19H19F4N3O3S and a molecular weight of 445.44 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide
PubChem CID166343154
Molecular FormulaC19H19F4N3O3S
Molecular Weight445.44 g/mol
Exact Mass445.11
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C2CC3CCC2C3)n1
InChIInChI=1S/C19H19F4N3O3S/c1-26-9-14(17(24-26)13-7-10-2-3-11(13)6-10)18(27)25-30(28,29)12-4-5-16(20)15(8-12)19(21,22)23/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,25,27)
InChIKeyYYUMVTJUTMDKIN-UHFFFAOYSA-N
XLogP3.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-(4-fluoro-3-methylphenyl)sulfonyl-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 166233377
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
3-cyclopentyl-1-methyl-N-pyridin-2-ylsulfonylpyrazole-4-carboxamide
CID 146104183
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
CID 95155929
4-fluoro-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 47072817
N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121253137
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 71782948
N-butyl-5-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dimethylimidazole-4-carboxamide
CID 99800605
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide (CID 166343154) is 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C2CC3CCC2C3)n1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide?
The InChIKey is YYUMVTJUTMDKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O3S/c1-26-9-14(17(24-26)13-7-10-2-3-11(13)6-10)18(27)25-30(28,29)12-4-5-16(20)15(8-12)19(21,22)23/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,25,27).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide?
3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166343154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).