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

C16H19N5 — CID 15246044

IUPAC2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1
InChIInChI=1S/C16H19N5/c1-11-9-13(3)20(18-11)16(15-7-5-6-8-17-15)21-14(4)10-12(2)19-21/h5-10,16H,1-4H3
InChIKeyIDJYYABUNDTOJT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.80
Rot. Bonds3

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

2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 15246044) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID15246044
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1
InChIInChI=1S/C16H19N5/c1-11-9-13(3)20(18-11)16(15-7-5-6-8-17-15)21-14(4)10-12(2)19-21/h5-10,16H,1-4H3
InChIKeyIDJYYABUNDTOJT-UHFFFAOYSA-N
XLogP2.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
CID 676764
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine
CID 10798135
2,6-Di(1-pyrazolyl)pyridine
CID 11816656
1-(pyridin-2-ylmethyl)-1H-pyrazol-4-amine
CID 28373959
(Z)-3-methyl-1-phenyl-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-imine
CID 1536762
N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
CID 10753707
1-Methyl-3-Pyridin-2-Yl-1H-Pyrazol-5-Amine
CID 13324837
1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-amine
CID 46204451
1-[(pyridin-2-yl)methyl]-1H-pyrazol-3-amine
CID 47002770

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 15246044) is 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine is Cc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1.
What is the InChIKey of 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is IDJYYABUNDTOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-9-13(3)20(18-11)16(15-7-5-6-8-17-15)21-14(4)10-12(2)19-21/h5-10,16H,1-4H3.
What are the key properties of 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 281.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 15246044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).