4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole

C15H18F3N7 — CID 72864490

IUPAC4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole
SMILESCc1cc(C(F)(F)F)n(CC(C)Cn2cc(-c3nccn3C)nn2)n1
InChIInChI=1S/C15H18F3N7/c1-10(8-25-13(15(16,17)18)6-11(2)21-25)7-24-9-12(20-22-24)14-19-4-5-23(14)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAKDDGASSJSRNRB-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.54
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole

4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole (PubChem CID 72864490) has the molecular formula C15H18F3N7 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole
PubChem CID72864490
Molecular FormulaC15H18F3N7
Molecular Weight353.35 g/mol
Exact Mass353.16
IUPAC Name4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole
SMILESCc1cc(C(F)(F)F)n(CC(C)Cn2cc(-c3nccn3C)nn2)n1
InChIInChI=1S/C15H18F3N7/c1-10(8-25-13(15(16,17)18)6-11(2)21-25)7-24-9-12(20-22-24)14-19-4-5-23(14)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAKDDGASSJSRNRB-UHFFFAOYSA-N
XLogP2.54
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.54
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-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole (CID 72864490) is 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole is Cc1cc(C(F)(F)F)n(CC(C)Cn2cc(-c3nccn3C)nn2)n1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
The InChIKey is AKDDGASSJSRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7/c1-10(8-25-13(15(16,17)18)6-11(2)21-25)7-24-9-12(20-22-24)14-19-4-5-23(14)3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole?
4-(1-methylimidazol-2-yl)-1-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole has a molecular weight of 353.35 g/mol, XLogP of 2.54, 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-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]triazole is sourced from PubChem (CID 72864490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).