4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole

C17H17N7 — CID 72906137

IUPAC4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole
SMILESCn1ccnc1-c1cn(Cc2ccccc2Cn2cccn2)nn1
InChIInChI=1S/C17H17N7/c1-22-10-8-18-17(22)16-13-24(21-20-16)12-15-6-3-2-5-14(15)11-23-9-4-7-19-23/h2-10,13H,11-12H2,1H3
InChIKeyKBKHRVNDVSCSKK-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.97
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole

4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole (PubChem CID 72906137) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole
PubChem CID72906137
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole
SMILESCn1ccnc1-c1cn(Cc2ccccc2Cn2cccn2)nn1
InChIInChI=1S/C17H17N7/c1-22-10-8-18-17(22)16-13-24(21-20-16)12-15-6-3-2-5-14(15)11-23-9-4-7-19-23/h2-10,13H,11-12H2,1H3
InChIKeyKBKHRVNDVSCSKK-UHFFFAOYSA-N
XLogP1.97
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.97
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-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole (CID 72906137) is 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole is Cn1ccnc1-c1cn(Cc2ccccc2Cn2cccn2)nn1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole?
The InChIKey is KBKHRVNDVSCSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-22-10-8-18-17(22)16-13-24(21-20-16)12-15-6-3-2-5-14(15)11-23-9-4-7-19-23/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole?
4-(1-methylimidazol-2-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole has a molecular weight of 319.37 g/mol, XLogP of 1.97, 5 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-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole is sourced from PubChem (CID 72906137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).