2,6-bis[di(pyrazol-1-yl)methyl]pyridine

C57H51N27 — CID 139132402

IUPAC2,6-bis[di(pyrazol-1-yl)methyl]pyridine
SMILESc1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/3C19H17N9/c3*1-6-16(18(25-12-2-8-20-25)26-13-3-9-21-26)24-17(7-1)19(27-14-4-10-22-27)28-15-5-11-23-28/h3*1-15,18-19H
InChIKeyHBJDZZYULXQIJE-UHFFFAOYSA-N
MW1114.22 g/mol
LogP6.17
Rot. Bonds18

About 2,6-bis[di(pyrazol-1-yl)methyl]pyridine

2,6-bis[di(pyrazol-1-yl)methyl]pyridine (PubChem CID 139132402) has the molecular formula C57H51N27 and a molecular weight of 1114.22 g/mol. Its IUPAC name is 2,6-bis[di(pyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[di(pyrazol-1-yl)methyl]pyridine
PubChem CID139132402
Molecular FormulaC57H51N27
Molecular Weight1114.22 g/mol
Exact Mass1113.48
IUPAC Name2,6-bis[di(pyrazol-1-yl)methyl]pyridine
SMILESc1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/3C19H17N9/c3*1-6-16(18(25-12-2-8-20-25)26-13-3-9-21-26)24-17(7-1)19(27-14-4-10-22-27)28-15-5-11-23-28/h3*1-15,18-19H
InChIKeyHBJDZZYULXQIJE-UHFFFAOYSA-N
XLogP6.17
TPSA252.51 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001114.22
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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Related Compounds

2-[Bis(1H-pyrazol-1-yl)methyl]pyridine
CID 15246036
Tris(3-pyridin-2-ylpyrazol-1-yl)borane
CID 70902506
2,6-Bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 102040927
1H-Pyrazol-1-yl-N-(1H-pyrazol-1-ylmethyl)-N-(2-pyridinylmethyl)methanamine
CID 361764
N-(1H-Pyrazol-1-ylmethyl)(2-pyridinyl)-N-(2-pyridinylmethyl)methanamine
CID 361766
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380
Iridium(3+);tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 89898114
3,5-Dimethylpyrazol-1-ide;ethane;3-methylpyrazol-2-ide;2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157533346
2,6-Bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine
CID 5241983
2-[Bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 15246044

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[di(pyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[di(pyrazol-1-yl)methyl]pyridine (CID 139132402) is 2,6-bis[di(pyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[di(pyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[di(pyrazol-1-yl)methyl]pyridine is c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.c1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1.
What is the InChIKey of 2,6-bis[di(pyrazol-1-yl)methyl]pyridine?
The InChIKey is HBJDZZYULXQIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H17N9/c3*1-6-16(18(25-12-2-8-20-25)26-13-3-9-21-26)24-17(7-1)19(27-14-4-10-22-27)28-15-5-11-23-28/h3*1-15,18-19H.
What are the key properties of 2,6-bis[di(pyrazol-1-yl)methyl]pyridine?
2,6-bis[di(pyrazol-1-yl)methyl]pyridine has a molecular weight of 1114.22 g/mol, XLogP of 6.17, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[di(pyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 139132402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).