6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

C22H24N4O — CID 18339516

IUPAC6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCCc1[nH]n2c(-c3c(C)cc(C)cc3C)nnc2c1Oc1ccc(C)cc1
InChIInChI=1S/C22H24N4O/c1-6-18-20(27-17-9-7-13(2)8-10-17)22-24-23-21(26(22)25-18)19-15(4)11-14(3)12-16(19)5/h7-12,25H,6H2,1-5H3
InChIKeyNWXVNDQXIYLUSP-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.31
Rot. Bonds4

About 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole

6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 18339516) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID18339516
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCCc1[nH]n2c(-c3c(C)cc(C)cc3C)nnc2c1Oc1ccc(C)cc1
InChIInChI=1S/C22H24N4O/c1-6-18-20(27-17-9-7-13(2)8-10-17)22-24-23-21(26(22)25-18)19-15(4)11-14(3)12-16(19)5/h7-12,25H,6H2,1-5H3
InChIKeyNWXVNDQXIYLUSP-UHFFFAOYSA-N
XLogP5.31
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole 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 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 18339516) is 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is CCc1[nH]n2c(-c3c(C)cc(C)cc3C)nnc2c1Oc1ccc(C)cc1.
What is the InChIKey of 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is NWXVNDQXIYLUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-6-18-20(27-17-9-7-13(2)8-10-17)22-24-23-21(26(22)25-18)19-15(4)11-14(3)12-16(19)5/h7-12,25H,6H2,1-5H3.
What are the key properties of 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole?
6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 360.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-(4-methylphenoxy)-3-(2,4,6-trimethylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 18339516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).