2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine

C16H12F3N3S — CID 2745053

IUPAC2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2[nH]ncc2Sc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H12F3N3S/c1-10-2-4-11(5-3-10)15-13(9-21-22-15)23-14-7-6-12(8-20-14)16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyPGRZWHCWLACMMD-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.95
Rot. Bonds3

About 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine

2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 2745053) has the molecular formula C16H12F3N3S and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID2745053
Molecular FormulaC16H12F3N3S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC Name2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2[nH]ncc2Sc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H12F3N3S/c1-10-2-4-11(5-3-10)15-13(9-21-22-15)23-14-7-6-12(8-20-14)16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyPGRZWHCWLACMMD-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
4-(5-(1-methylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)pyridine
CID 22262560
4-[4-(4-Fluorophenyl)-1h-Pyrazol-3-Yl]pyridine
CID 15428657
2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
CID 42647299
3-methyl-5-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine
CID 137642787
4-(5-phenyl-1H-pyrazol-4-yl)pyridine
CID 5207138
4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 45588555
2,4-dimethyl-5-[5-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazol-3-yl]-1,3-thiazole
CID 132941094

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine (CID 2745053) is 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine is Cc1ccc(-c2[nH]ncc2Sc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is PGRZWHCWLACMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3S/c1-10-2-4-11(5-3-10)15-13(9-21-22-15)23-14-7-6-12(8-20-14)16(17,18)19/h2-9H,1H3,(H,21,22).
What are the key properties of 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 335.35 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]sulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2745053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).