1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine

C17H17N3 — CID 107331022

IUPAC1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-13(18)14-7-9-15(10-8-14)17-11-12-19-20(17)16-5-3-2-4-6-16/h2-13H,18H2,1H3
InChIKeyYZVVESIWNGBVBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds3

About 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine

1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine (PubChem CID 107331022) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine
PubChem CID107331022
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-13(18)14-7-9-15(10-8-14)17-11-12-19-20(17)16-5-3-2-4-6-16/h2-13H,18H2,1H3
InChIKeyYZVVESIWNGBVBI-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine 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 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine (CID 107331022) is 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine is CC(N)c1ccc(-c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine?
The InChIKey is YZVVESIWNGBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(18)14-7-9-15(10-8-14)17-11-12-19-20(17)16-5-3-2-4-6-16/h2-13H,18H2,1H3.
What are the key properties of 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine?
1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 107331022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).