ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine

C16H24F3N3 — CID 177229845

IUPACethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
SMILESCC.CC.CCn1nc(-c2ccc(C(F)(F)F)nc2)cc1C
InChIInChI=1S/C12H12F3N3.2C2H6/c1-3-18-8(2)6-10(17-18)9-4-5-11(16-7-9)12(13,14)15;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3
InChIKeyYYNHCDBOGOVFLL-UHFFFAOYSA-N
MW315.38 g/mol
LogP5.34
Rot. Bonds2

About ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine

ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine (PubChem CID 177229845) has the molecular formula C16H24F3N3 and a molecular weight of 315.38 g/mol. Its IUPAC name is ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
PubChem CID177229845
Molecular FormulaC16H24F3N3
Molecular Weight315.38 g/mol
Exact Mass315.19
IUPAC Nameethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
SMILESCC.CC.CCn1nc(-c2ccc(C(F)(F)F)nc2)cc1C
InChIInChI=1S/C12H12F3N3.2C2H6/c1-3-18-8(2)6-10(17-18)9-4-5-11(16-7-9)12(13,14)15;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3
InChIKeyYYNHCDBOGOVFLL-UHFFFAOYSA-N
XLogP5.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
CID 88932534
ethyl 2-(5-fluoro-3-pyridinyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylate
CID 142411152
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 178126543
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292
5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-(trifluoromethyl)pyridine
CID 157464435
1-(cyclopropylmethyl)-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-amine
CID 134440162
N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826593
1-(8-ethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 162562317
4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 102525607
3-oxo-2-phenyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylic acid
CID 138634201

Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine (CID 177229845) is ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine is CC.CC.CCn1nc(-c2ccc(C(F)(F)F)nc2)cc1C.
What is the InChIKey of ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is YYNHCDBOGOVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3.2C2H6/c1-3-18-8(2)6-10(17-18)9-4-5-11(16-7-9)12(13,14)15;2*1-2/h4-7H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 315.38 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 177229845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).