2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine

C18H25N5 — CID 101405694

IUPAC2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine
SMILESCCCCCCCN1C=CN(c2cccc(-n3cccn3)n2)C1
InChIInChI=1S/C18H25N5/c1-2-3-4-5-6-12-21-14-15-22(16-21)17-9-7-10-18(20-17)23-13-8-11-19-23/h7-11,13-15H,2-6,12,16H2,1H3
InChIKeyBEHHWFIPBKEGJN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.79
Rot. Bonds8

About 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine

2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine (PubChem CID 101405694) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine
PubChem CID101405694
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine
SMILESCCCCCCCN1C=CN(c2cccc(-n3cccn3)n2)C1
InChIInChI=1S/C18H25N5/c1-2-3-4-5-6-12-21-14-15-22(16-21)17-9-7-10-18(20-17)23-13-8-11-19-23/h7-11,13-15H,2-6,12,16H2,1H3
InChIKeyBEHHWFIPBKEGJN-UHFFFAOYSA-N
XLogP3.79
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
1-octyl-3-phenyl-2H-imidazole
CID 69387944
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1,3-di(nonyl)-2H-imidazole
CID 69395396

Frequently Asked Questions

What is the IUPAC name of 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine?
The IUPAC name of 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine (CID 101405694) is 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine.
What is the SMILES notation for 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine?
The canonical SMILES for 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine is CCCCCCCN1C=CN(c2cccc(-n3cccn3)n2)C1.
What is the InChIKey of 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine?
The InChIKey is BEHHWFIPBKEGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-3-4-5-6-12-21-14-15-22(16-21)17-9-7-10-18(20-17)23-13-8-11-19-23/h7-11,13-15H,2-6,12,16H2,1H3.
What are the key properties of 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine?
2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine has a molecular weight of 311.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-heptyl-2H-imidazol-1-yl)-6-pyrazol-1-ylpyridine is sourced from PubChem (CID 101405694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).