2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

C16H12F3N3 — CID 156810321

IUPAC2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
SMILESFC(F)(F)c1nn(Cc2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)15-14(12-6-2-1-3-7-12)11-22(21-15)10-13-8-4-5-9-20-13/h1-9,11H,10H2
InChIKeyQPZZRPWEOHWQDZ-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.01
Rot. Bonds3

About 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine

2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine (PubChem CID 156810321) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
PubChem CID156810321
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine
SMILESFC(F)(F)c1nn(Cc2ccccn2)cc1-c1ccccc1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)15-14(12-6-2-1-3-7-12)11-22(21-15)10-13-8-4-5-9-20-13/h1-9,11H,10H2
InChIKeyQPZZRPWEOHWQDZ-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[difluoro-[4-phenyl-1-(pyridin-2-ylmethyl)pyrazol-3-yl]methyl]phosphane
CID 170149782
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 171785766
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
2-fluoro-3-[[4-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 176915074
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782
[1-(1-ethyl-4-phenylpyrazol-3-yl)-1-phosphanylethyl]phosphane
CID 170150145
bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine
CID 167969599
4-methyl-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid
CID 164907410
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
1-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carbonitrile
CID 60709671

Frequently Asked Questions

What is the IUPAC name of 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine (CID 156810321) is 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine is FC(F)(F)c1nn(Cc2ccccn2)cc1-c1ccccc1.
What is the InChIKey of 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
The InChIKey is QPZZRPWEOHWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-16(18,19)15-14(12-6-2-1-3-7-12)11-22(21-15)10-13-8-4-5-9-20-13/h1-9,11H,10H2.
What are the key properties of 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine?
2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 303.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 156810321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).