5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine

C10H8F3N3 — CID 141098456

IUPAC5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cn2cccn2)cn1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-3-2-8(6-14-9)7-16-5-1-4-15-16/h1-6H,7H2
InChIKeyHFRFRBQMNIXUGZ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.35
Rot. Bonds2

About 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine

5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine (PubChem CID 141098456) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
PubChem CID141098456
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Cn2cccn2)cn1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9-3-2-8(6-14-9)7-16-5-1-4-15-16/h1-6H,7H2
InChIKeyHFRFRBQMNIXUGZ-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethanol
CID 146194526
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
5-[[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
CID 167952603
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
2-benzyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 175649956
5-pyrrol-1-yl-2-(trifluoromethyl)pyridine
CID 82816701
5-(2-bromopropyl)-2-(trifluoromethyl)pyridine
CID 68969258

Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine (CID 141098456) is 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Cn2cccn2)cn1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is HFRFRBQMNIXUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)9-3-2-8(6-14-9)7-16-5-1-4-15-16/h1-6H,7H2.
What are the key properties of 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine?
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 227.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 141098456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).