2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine

C12H12F3N3O2 — CID 167929200

IUPAC2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine
SMILESCOc1cc(OC)n(Cc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O2/c1-19-10-6-11(20-2)18(17-10)7-9-8(12(13,14)15)4-3-5-16-9/h3-6H,7H2,1-2H3
InChIKeyLYCAIYUWJDKOFR-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.36
Rot. Bonds4

About 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine

2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine (PubChem CID 167929200) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine
PubChem CID167929200
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine
SMILESCOc1cc(OC)n(Cc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O2/c1-19-10-6-11(20-2)18(17-10)7-9-8(12(13,14)15)4-3-5-16-9/h3-6H,7H2,1-2H3
InChIKeyLYCAIYUWJDKOFR-UHFFFAOYSA-N
XLogP2.36
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine (CID 167929200) is 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine is COc1cc(OC)n(Cc2ncccc2C(F)(F)F)n1.
What is the InChIKey of 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine?
The InChIKey is LYCAIYUWJDKOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-19-10-6-11(20-2)18(17-10)7-9-8(12(13,14)15)4-3-5-16-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine?
2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine has a molecular weight of 287.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxypyrazol-1-yl)methyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 167929200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).