2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine

C16H12F3N3 — CID 159749532

IUPAC2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccn2)c1
InChIInChI=1S/C16H12F3N3/c1-10-5-4-6-11(9-10)14-13(12-7-2-3-8-20-12)15(22-21-14)16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyNDLZGFZZBZXOOW-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.47
Rot. Bonds2

About 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine

2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 159749532) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
PubChem CID159749532
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccn2)c1
InChIInChI=1S/C16H12F3N3/c1-10-5-4-6-11(9-10)14-13(12-7-2-3-8-20-12)15(22-21-14)16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyNDLZGFZZBZXOOW-UHFFFAOYSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 116862017
4-(3-methylphenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 91117233
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
2-[4-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314885
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[2,5-diphenyl-4-(6-phenyl-2-pyridinyl)phenyl]-6-phenylpyridine;2-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]-6-[4-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-diphenylphenyl]pyridine
CID 91363564
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
3-[4-[3-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]benzenethiol
CID 166490664
3-(3-methylphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 11737712

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine (CID 159749532) is 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine is Cc1cccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccn2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is NDLZGFZZBZXOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-10-5-4-6-11(9-10)14-13(12-7-2-3-8-20-12)15(22-21-14)16(17,18)19/h2-9H,1H3,(H,21,22).
What are the key properties of 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine?
2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 303.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 159749532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).