2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine

C24H19N5 — CID 46919838

IUPAC2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2ccn(C(c3ccccn3)n3ccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C24H19N5/c1-3-9-19(10-4-1)21-14-17-28(26-21)24(23-13-7-8-16-25-23)29-18-15-22(27-29)20-11-5-2-6-12-20/h1-18,24H
InChIKeyQNKADYBCHVMCGO-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.90
Rot. Bonds5

About 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine

2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine (PubChem CID 46919838) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine
PubChem CID46919838
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2ccn(C(c3ccccn3)n3ccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C24H19N5/c1-3-9-19(10-4-1)21-14-17-28(26-21)24(23-13-7-8-16-25-23)29-18-15-22(27-29)20-11-5-2-6-12-20/h1-18,24H
InChIKeyQNKADYBCHVMCGO-UHFFFAOYSA-N
XLogP4.90
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
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US10399985, Example 16
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3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
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7-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine (CID 46919838) is 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine is c1ccc(-c2ccn(C(c3ccccn3)n3ccc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine?
The InChIKey is QNKADYBCHVMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-3-9-19(10-4-1)21-14-17-28(26-21)24(23-13-7-8-16-25-23)29-18-15-22(27-29)20-11-5-2-6-12-20/h1-18,24H.
What are the key properties of 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine?
2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine has a molecular weight of 377.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-phenylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 46919838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).