2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine

C21H15F3N4O — CID 42639570

IUPAC2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccccn2)cn1
InChIInChI=1S/C21H15F3N4O/c1-29-17-11-10-14(13-26-17)18-19(16-9-5-6-12-25-16)28(15-7-3-2-4-8-15)27-20(18)21(22,23)24/h2-13H,1H3
InChIKeyOFNRBHYUTWHFLH-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.02
Rot. Bonds4

About 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine

2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine (PubChem CID 42639570) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
PubChem CID42639570
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccccn2)cn1
InChIInChI=1S/C21H15F3N4O/c1-29-17-11-10-14(13-26-17)18-19(16-9-5-6-12-25-16)28(15-7-3-2-4-8-15)27-20(18)21(22,23)24/h2-13H,1H3
InChIKeyOFNRBHYUTWHFLH-UHFFFAOYSA-N
XLogP5.02
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
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2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
Dihydropyrrolopyrazole, 7f
CID 21992672
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
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2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
Jnj-42259152
CID 51353528
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861
3-[1-[[4-(6-Methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]aniline
CID 155515100
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
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1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
4-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193703
4-(Fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine (CID 42639570) is 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine is COc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccccn2)cn1.
What is the InChIKey of 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
The InChIKey is OFNRBHYUTWHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-29-17-11-10-14(13-26-17)18-19(16-9-5-6-12-25-16)28(15-7-3-2-4-8-15)27-20(18)21(22,23)24/h2-13H,1H3.
What are the key properties of 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine has a molecular weight of 396.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-phenyl-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 42639570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).