5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole

C16H19N5O — CID 131911796

IUPAC5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole
SMILESCOc1ccccc1Cc1nc(CCCn2cccn2)n[nH]1
InChIInChI=1S/C16H19N5O/c1-22-14-7-3-2-6-13(14)12-16-18-15(19-20-16)8-4-10-21-11-5-9-17-21/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,18,19,20)
InChIKeyHENOPLYPRFPOLS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.23
Rot. Bonds7

About 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole

5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole (PubChem CID 131911796) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole
PubChem CID131911796
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole
SMILESCOc1ccccc1Cc1nc(CCCn2cccn2)n[nH]1
InChIInChI=1S/C16H19N5O/c1-22-14-7-3-2-6-13(14)12-16-18-15(19-20-16)8-4-10-21-11-5-9-17-21/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,18,19,20)
InChIKeyHENOPLYPRFPOLS-UHFFFAOYSA-N
XLogP2.23
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-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 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole (CID 131911796) is 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole is COc1ccccc1Cc1nc(CCCn2cccn2)n[nH]1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole?
The InChIKey is HENOPLYPRFPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-22-14-7-3-2-6-13(14)12-16-18-15(19-20-16)8-4-10-21-11-5-9-17-21/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,18,19,20).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole?
5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole has a molecular weight of 297.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 131911796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).