2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine

C11H10F3N3S — CID 2745213

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCc1n[nH]c(C)c1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3S/c1-6-10(7(2)17-16-6)18-9-4-3-8(5-15-9)11(12,13)14/h3-5H,1-2H3,(H,16,17)
InChIKeyVUTWCYFHCQYZNS-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.59
Rot. Bonds2

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 2745213) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID2745213
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCc1n[nH]c(C)c1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N3S/c1-6-10(7(2)17-16-6)18-9-4-3-8(5-15-9)11(12,13)14/h3-5H,1-2H3,(H,16,17)
InChIKeyVUTWCYFHCQYZNS-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine (CID 2745213) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine is Cc1n[nH]c(C)c1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is VUTWCYFHCQYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-6-10(7(2)17-16-6)18-9-4-3-8(5-15-9)11(12,13)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 273.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2745213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).