4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole

C15H17N5O — CID 146140960

IUPAC4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
SMILESCOc1ccccc1-c1cn(CCc2cnn(C)c2)nn1
InChIInChI=1S/C15H17N5O/c1-19-10-12(9-16-19)7-8-20-11-14(17-18-20)13-5-3-4-6-15(13)21-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyHLBNGWFUBWHYES-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.93
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole

4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole (PubChem CID 146140960) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
PubChem CID146140960
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
SMILESCOc1ccccc1-c1cn(CCc2cnn(C)c2)nn1
InChIInChI=1S/C15H17N5O/c1-19-10-12(9-16-19)7-8-20-11-14(17-18-20)13-5-3-4-6-15(13)21-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyHLBNGWFUBWHYES-UHFFFAOYSA-N
XLogP1.93
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
CID 167764428
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 77081979
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
CID 107461871
2-(2-methoxyphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103005784
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 25258924
2-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]-N-phenylbenzamide
CID 166400332
[(1R)-2-(3-ethylphenyl)-1-[3-[4-(2-methoxyphenyl)triazol-1-yl]propanoylamino]ethyl]boronic acid
CID 71616887
3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
CID 103019424
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-3-propan-2-ylurea
CID 54641759
3-[4-(2-methoxyphenyl)triazol-1-yl]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
CID 167842497

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole?
The IUPAC name of 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole (CID 146140960) is 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole is COc1ccccc1-c1cn(CCc2cnn(C)c2)nn1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole?
The InChIKey is HLBNGWFUBWHYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19-10-12(9-16-19)7-8-20-11-14(17-18-20)13-5-3-4-6-15(13)21-2/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole?
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole has a molecular weight of 283.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole is sourced from PubChem (CID 146140960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).