3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine

C21H15F3N2O2S — CID 122193258

IUPAC3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)cc1
InChIInChI=1S/C21H15F3N2O2S/c1-29(27,28)18-7-5-14(6-8-18)19-13-25-26-10-9-16(12-20(19)26)15-3-2-4-17(11-15)21(22,23)24/h2-13H,1H3
InChIKeyJZCFKXQBZHKIPL-UHFFFAOYSA-N
MW416.42 g/mol
LogP5.09
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine

3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine (PubChem CID 122193258) has the molecular formula C21H15F3N2O2S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
PubChem CID122193258
Molecular FormulaC21H15F3N2O2S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC Name3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)cc1
InChIInChI=1S/C21H15F3N2O2S/c1-29(27,28)18-7-5-14(6-8-18)19-13-25-26-10-9-16(12-20(19)26)15-3-2-4-17(11-15)21(22,23)24/h2-13H,1H3
InChIKeyJZCFKXQBZHKIPL-UHFFFAOYSA-N
XLogP5.09
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
CID 122193262
5-(4-methylsulfonylphenyl)-3-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyridin-2-amine
CID 71594226
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398
CID 131866586
CID 131866586
2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 16754337
5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 59662442
2-(3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)benzene
CID 16754445
4-[(2S)-2-hydroxy-3-methylbutoxy]-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 54378316
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
1,2-dichloro-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzene
CID 16754543
N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide
CID 141138062
2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 87551362

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine (CID 122193258) is 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine is CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is JZCFKXQBZHKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2S/c1-29(27,28)18-7-5-14(6-8-18)19-13-25-26-10-9-16(12-20(19)26)15-3-2-4-17(11-15)21(22,23)24/h2-13H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine?
3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 416.42 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 122193258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).