4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine

C12H12F3N3O — CID 154403788

IUPAC4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
SMILESCCn1nc(COc2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-2-18-11(12(13,14)15)7-9(17-18)8-19-10-3-5-16-6-4-10/h3-7H,2,8H2,1H3
InChIKeyCNQPDBLUXLPDCG-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.90
Rot. Bonds4

About 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine

4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine (PubChem CID 154403788) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
PubChem CID154403788
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
SMILESCCn1nc(COc2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-2-18-11(12(13,14)15)7-9(17-18)8-19-10-3-5-16-6-4-10/h3-7H,2,8H2,1H3
InChIKeyCNQPDBLUXLPDCG-UHFFFAOYSA-N
XLogP2.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine?
The IUPAC name of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine (CID 154403788) is 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine.
What is the SMILES notation for 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine?
The canonical SMILES for 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine is CCn1nc(COc2ccncc2)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine?
The InChIKey is CNQPDBLUXLPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-18-11(12(13,14)15)7-9(17-18)8-19-10-3-5-16-6-4-10/h3-7H,2,8H2,1H3.
What are the key properties of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine?
4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine has a molecular weight of 271.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine is sourced from PubChem (CID 154403788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).