3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine

C21H20N4 — CID 159490451

IUPAC3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine
SMILESCc1cc(C)[nH]n1.c1ccc(-c2cccc(-c3ccccn3)c2)nc1
InChIInChI=1S/C16H12N2.C5H8N2/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-4-3-5(2)7-6-4/h1-12H;3H,1-2H3,(H,6,7)
InChIKeyLYCVQNVRZSAZRJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.84
Rot. Bonds2

About 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine

3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine (PubChem CID 159490451) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine
PubChem CID159490451
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine
SMILESCc1cc(C)[nH]n1.c1ccc(-c2cccc(-c3ccccn3)c2)nc1
InChIInChI=1S/C16H12N2.C5H8N2/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-4-3-5(2)7-6-4/h1-12H;3H,1-2H3,(H,6,7)
InChIKeyLYCVQNVRZSAZRJ-UHFFFAOYSA-N
XLogP4.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
3,5-dimethyl-1H-pyrazole;pyridine
CID 174790538
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
CID 88529992
CID 88529992

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine?
The IUPAC name of 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine (CID 159490451) is 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine.
What is the SMILES notation for 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine?
The canonical SMILES for 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine is Cc1cc(C)[nH]n1.c1ccc(-c2cccc(-c3ccccn3)c2)nc1.
What is the InChIKey of 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine?
The InChIKey is LYCVQNVRZSAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.C5H8N2/c1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-4-3-5(2)7-6-4/h1-12H;3H,1-2H3,(H,6,7).
What are the key properties of 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine?
3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine has a molecular weight of 328.42 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyrazole;2-(3-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 159490451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).