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

C17H21N5 — CID 12975816

IUPAC2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1
InChIInChI=1S/C17H21N5/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22/h5-9H,10-11H2,1-4H3
InChIKeyPZROUOOSVHHWDV-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.80
Rot. Bonds4

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

2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 12975816) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID12975816
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1
InChIInChI=1S/C17H21N5/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22/h5-9H,10-11H2,1-4H3
InChIKeyPZROUOOSVHHWDV-UHFFFAOYSA-N
XLogP2.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.80
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-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 12975816) is 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine is Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.
What is the InChIKey of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is PZROUOOSVHHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22/h5-9H,10-11H2,1-4H3.
What are the key properties of 2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 295.39 g/mol, XLogP of 2.80, 4 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-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 12975816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).