2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine

C16H12F3N3O — CID 15452298

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(-c2ccccc2)n1
InChIInChI=1S/C16H12F3N3O/c1-22-15(10-13(21-22)16(17,18)19)23-14-9-5-8-12(20-14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyGOKNMCSVNPUVEE-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.29
Rot. Bonds3

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine (PubChem CID 15452298) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine
PubChem CID15452298
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(-c2ccccc2)n1
InChIInChI=1S/C16H12F3N3O/c1-22-15(10-13(21-22)16(17,18)19)23-14-9-5-8-12(20-14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyGOKNMCSVNPUVEE-UHFFFAOYSA-N
XLogP4.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
CID 21027446
7-Methoxy-4-[(2-pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24752867
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189799
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16192340
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-(4-pyridinylmethyl)ethanamine
CID 16192364
3-(4-Fluoro-phenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 44394687
7-Methoxy-4-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 72193179
US11312688, Example 349
CID 68029408

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine (CID 15452298) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine is Cn1nc(C(F)(F)F)cc1Oc1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine?
The InChIKey is GOKNMCSVNPUVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-22-15(10-13(21-22)16(17,18)19)23-14-9-5-8-12(20-14)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine has a molecular weight of 319.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-phenylpyridine is sourced from PubChem (CID 15452298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).