3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

C23H27N5 — CID 11406169

IUPAC3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCCc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1CC
InChIInChI=1S/C23H27N5/c1-5-15-7-8-17(12-16(15)6-2)22-19-13-18(9-10-20(19)25-27-22)23-24-21(26-28-23)11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,27)(H,24,26,28)
InChIKeyGHPFKDAWBINQFI-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.34
Rot. Bonds6

About 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 11406169) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID11406169
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCCc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1CC
InChIInChI=1S/C23H27N5/c1-5-15-7-8-17(12-16(15)6-2)22-19-13-18(9-10-20(19)25-27-22)23-24-21(26-28-23)11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,27)(H,24,26,28)
InChIKeyGHPFKDAWBINQFI-UHFFFAOYSA-N
XLogP5.34
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 11406169) is 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is CCc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1CC.
What is the InChIKey of 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is GHPFKDAWBINQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-5-15-7-8-17(12-16(15)6-2)22-19-13-18(9-10-20(19)25-27-22)23-24-21(26-28-23)11-14(3)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,25,27)(H,24,26,28).
What are the key properties of 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 373.50 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 11406169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).