2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine

C11H10F3N3O — CID 173202592

IUPAC2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCOc1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N3O/c1-2-18-10-5-6-17(16-10)9-4-3-8(7-15-9)11(12,13)14/h3-7H,2H2,1H3
InChIKeyWNHQJODABKFPBV-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 173202592) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID173202592
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCOc1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N3O/c1-2-18-10-5-6-17(16-10)9-4-3-8(7-15-9)11(12,13)14/h3-7H,2H2,1H3
InChIKeyWNHQJODABKFPBV-UHFFFAOYSA-N
XLogP2.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 118430511
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine
CID 118430610
5-Fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-YL)methyl]pyridin-2-amine
CID 86782900
2-(4-Fluorophenyl)-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 9862668
5-Methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-[6-(trifluoromethyl)pyridin-3-yl]pyrimidine
CID 17777664
2-(1-Methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(4-trifluoromethylpyrazol-1-yl)pyridine
CID 17980395
4-Methyl-2-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(4-trifluoromethylpyrazol-1-yl)pyridine
CID 17980396
6-[3-Ethoxy-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 57861900
5-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine
CID 58044681
2-[5-Tert-butyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]-3-chloropyridine
CID 58157408
2-[4-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]-5-ethoxypyridine
CID 58504351
2-[5-Methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 58840937

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 173202592) is 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine is CCOc1ccn(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is WNHQJODABKFPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-18-10-5-6-17(16-10)9-4-3-8(7-15-9)11(12,13)14/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 257.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 173202592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).