3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole

C14H15N5 — CID 56713800

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole
SMILESCCn1cc(-c2nncn2-c2ccccc2)c(C)n1
InChIInChI=1S/C14H15N5/c1-3-18-9-13(11(2)17-18)14-16-15-10-19(14)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyXLVUORKVMVEGBG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.46
Rot. Bonds3

About 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole

3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole (PubChem CID 56713800) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole
PubChem CID56713800
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole
SMILESCCn1cc(-c2nncn2-c2ccccc2)c(C)n1
InChIInChI=1S/C14H15N5/c1-3-18-9-13(11(2)17-18)14-16-15-10-19(14)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyXLVUORKVMVEGBG-UHFFFAOYSA-N
XLogP2.46
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-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 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole (CID 56713800) is 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole is CCn1cc(-c2nncn2-c2ccccc2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole?
The InChIKey is XLVUORKVMVEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-18-9-13(11(2)17-18)14-16-15-10-19(14)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole?
3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole has a molecular weight of 253.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 56713800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).