3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine

C13H16F3N3O — CID 174765322

IUPAC3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cc(CN2CC=CN2C)cnc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-10-6-11(8-19-5-3-4-18(19)2)7-17-12(10)20-9-13(14,15)16/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyDINYSWRHQBFXOZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine

3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 174765322) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID174765322
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cc(CN2CC=CN2C)cnc1OCC(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-10-6-11(8-19-5-3-4-18(19)2)7-17-12(10)20-9-13(14,15)16/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyDINYSWRHQBFXOZ-UHFFFAOYSA-N
XLogP2.51
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291764
2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291778
6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
CID 174836774
[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
CID 175338177
N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide
CID 174836552
2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
CID 174765316
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 67509821
2-[[4-hydroxy-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177123
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539473
N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90119234
N-methyl-1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine;hydrochloride
CID 67509330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine (CID 174765322) is 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine is Cc1cc(CN2CC=CN2C)cnc1OCC(F)(F)F.
What is the InChIKey of 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is DINYSWRHQBFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-10-6-11(8-19-5-3-4-18(19)2)7-17-12(10)20-9-13(14,15)16/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine?
3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 287.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 174765322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).