2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine

C28H24N4 — CID 91064991

IUPAC2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
SMILESc1ccc(Cn2cc(-c3ccccc3CC(c3ccccn3)c3ccccn3)cn2)cc1
InChIInChI=1S/C28H24N4/c1-2-10-22(11-3-1)20-32-21-24(19-31-32)25-13-5-4-12-23(25)18-26(27-14-6-8-16-29-27)28-15-7-9-17-30-28/h1-17,19,21,26H,18,20H2
InChIKeyABDVTMMIIPJUKO-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.76
Rot. Bonds7

About 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine

2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine (PubChem CID 91064991) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
PubChem CID91064991
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
SMILESc1ccc(Cn2cc(-c3ccccc3CC(c3ccccn3)c3ccccn3)cn2)cc1
InChIInChI=1S/C28H24N4/c1-2-10-22(11-3-1)20-32-21-24(19-31-32)25-13-5-4-12-23(25)18-26(27-14-6-8-16-29-27)28-15-7-9-17-30-28/h1-17,19,21,26H,18,20H2
InChIKeyABDVTMMIIPJUKO-UHFFFAOYSA-N
XLogP5.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 66830045
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 154466763
2-[1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]aniline
CID 63338473
4-(1-benzylpyrazol-4-yl)-2-chloro-5-fluorophenol
CID 138381254
1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
CID 91610958
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
3-(1-benzylpyrazol-4-yl)-5-chloro-1,2-oxazole
CID 131071463

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine?
The IUPAC name of 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine (CID 91064991) is 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine.
What is the SMILES notation for 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine?
The canonical SMILES for 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine is c1ccc(Cn2cc(-c3ccccc3CC(c3ccccn3)c3ccccn3)cn2)cc1.
What is the InChIKey of 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine?
The InChIKey is ABDVTMMIIPJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c1-2-10-22(11-3-1)20-32-21-24(19-31-32)25-13-5-4-12-23(25)18-26(27-14-6-8-16-29-27)28-15-7-9-17-30-28/h1-17,19,21,26H,18,20H2.
What are the key properties of 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine?
2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine has a molecular weight of 416.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine is sourced from PubChem (CID 91064991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).