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

C19H17N9 — CID 102479602

IUPAC2,6-bis[di(pyrazol-1-yl)methyl]pyridine
SMILESc1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C19H17N9/c1-6-16(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/h1-15,18-19H
InChIKeyNHYYPXBDHVXDHG-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.06
Rot. Bonds6

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

2,6-bis[di(pyrazol-1-yl)methyl]pyridine (PubChem CID 102479602) has the molecular formula C19H17N9 and a molecular weight of 371.41 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 CID102479602
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2,6-bis[di(pyrazol-1-yl)methyl]pyridine
SMILESc1cc(C(n2cccn2)n2cccn2)nc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C19H17N9/c1-6-16(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/h1-15,18-19H
InChIKeyNHYYPXBDHVXDHG-UHFFFAOYSA-N
XLogP2.06
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

US10189845, Example 135
CID 121390915
2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
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2-[Bis(1H-pyrazol-1-yl)methyl]pyridine
CID 15246036
2-[Bis(3-phenylpyrazol-1-yl)methyl]pyridine
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2,6-bis[(1H-pyrazol-1-yl)methyl]pyridine
CID 12975814
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CID 70902506
CID 70902535
CID 70902535
2,6-Bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 102040927
N1,N1,N3,N3-tetrakis(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 361756
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
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(2S)-2-(2-methylpyrazol-3-yl)-N-(1-pyridin-4-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 164635700

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 102479602) 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.
What is the InChIKey of 2,6-bis[di(pyrazol-1-yl)methyl]pyridine?
The InChIKey is NHYYPXBDHVXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c1-6-16(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/h1-15,18-19H.
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 371.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 9 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 102479602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).