4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole

C17H17N7 — CID 72898809

IUPAC4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole
SMILESCC(c1ccccc1-n1cccn1)n1cc(-c2nccn2C)nn1
InChIInChI=1S/C17H17N7/c1-13(14-6-3-4-7-16(14)23-10-5-8-19-23)24-12-15(20-21-24)17-18-9-11-22(17)2/h3-13H,1-2H3
InChIKeyZABPXBSYYUHWSW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.47
Rot. Bonds4

About 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole

4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole (PubChem CID 72898809) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole
PubChem CID72898809
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole
SMILESCC(c1ccccc1-n1cccn1)n1cc(-c2nccn2C)nn1
InChIInChI=1S/C17H17N7/c1-13(14-6-3-4-7-16(14)23-10-5-8-19-23)24-12-15(20-21-24)17-18-9-11-22(17)2/h3-13H,1-2H3
InChIKeyZABPXBSYYUHWSW-UHFFFAOYSA-N
XLogP2.47
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole (CID 72898809) is 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole is CC(c1ccccc1-n1cccn1)n1cc(-c2nccn2C)nn1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole?
The InChIKey is ZABPXBSYYUHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-13(14-6-3-4-7-16(14)23-10-5-8-19-23)24-12-15(20-21-24)17-18-9-11-22(17)2/h3-13H,1-2H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole?
4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole has a molecular weight of 319.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]triazole is sourced from PubChem (CID 72898809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).