5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine

C13H11F6N3O — CID 167952603

IUPAC5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
SMILESCCOc1cc(C(F)(F)F)nn1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H11F6N3O/c1-2-23-11-5-10(13(17,18)19)21-22(11)7-8-3-4-9(20-6-8)12(14,15)16/h3-6H,2,7H2,1H3
InChIKeyDDLPWZGGHTWSLD-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.76
Rot. Bonds4

About 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine

5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine (PubChem CID 167952603) has the molecular formula C13H11F6N3O and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
PubChem CID167952603
Molecular FormulaC13H11F6N3O
Molecular Weight339.24 g/mol
Exact Mass339.08
IUPAC Name5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
SMILESCCOc1cc(C(F)(F)F)nn1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H11F6N3O/c1-2-23-11-5-10(13(17,18)19)21-22(11)7-8-3-4-9(20-6-8)12(14,15)16/h3-6H,2,7H2,1H3
InChIKeyDDLPWZGGHTWSLD-UHFFFAOYSA-N
XLogP3.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(bromomethyl)phenyl]-5-ethoxy-3-(trifluoromethyl)pyrazole
CID 164881010
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine
CID 150415124
3-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine
CID 46735267
7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 58772839
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850

Frequently Asked Questions

What is the IUPAC name of 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine (CID 167952603) is 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine is CCOc1cc(C(F)(F)F)nn1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is DDLPWZGGHTWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O/c1-2-23-11-5-10(13(17,18)19)21-22(11)7-8-3-4-9(20-6-8)12(14,15)16/h3-6H,2,7H2,1H3.
What are the key properties of 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 339.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167952603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).