2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine

C37H29N5 — CID 102235241

IUPAC2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)n(Cc3cccc(Cn4nc(-c5ccccc5)cc4-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C37H29N5/c1-5-14-28(15-6-1)34-24-36(30-18-9-3-10-19-30)41(39-34)26-32-22-13-23-33(38-32)27-42-37(31-20-11-4-12-21-31)25-35(40-42)29-16-7-2-8-17-29/h1-25H,26-27H2
InChIKeySLVIGOBFPBUNPY-UHFFFAOYSA-N
MW543.67 g/mol
LogP8.24
Rot. Bonds8

About 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine

2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine (PubChem CID 102235241) has the molecular formula C37H29N5 and a molecular weight of 543.67 g/mol. Its IUPAC name is 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine
PubChem CID102235241
Molecular FormulaC37H29N5
Molecular Weight543.67 g/mol
Exact Mass543.24
IUPAC Name2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)n(Cc3cccc(Cn4nc(-c5ccccc5)cc4-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C37H29N5/c1-5-14-28(15-6-1)34-24-36(30-18-9-3-10-19-30)41(39-34)26-32-22-13-23-33(38-32)27-42-37(31-20-11-4-12-21-31)25-35(40-42)29-16-7-2-8-17-29/h1-25H,26-27H2
InChIKeySLVIGOBFPBUNPY-UHFFFAOYSA-N
XLogP8.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine (CID 102235241) is 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine is c1ccc(-c2cc(-c3ccccc3)n(Cc3cccc(Cn4nc(-c5ccccc5)cc4-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine?
The InChIKey is SLVIGOBFPBUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N5/c1-5-14-28(15-6-1)34-24-36(30-18-9-3-10-19-30)41(39-34)26-32-22-13-23-33(38-32)27-42-37(31-20-11-4-12-21-31)25-35(40-42)29-16-7-2-8-17-29/h1-25H,26-27H2.
What are the key properties of 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine?
2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine has a molecular weight of 543.67 g/mol, XLogP of 8.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3,5-diphenylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 102235241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).