2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine

C13H15Cl2N3 — CID 55038887

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
SMILESCc1nn(C(CN)c2ccccc2Cl)c(C)c1Cl
InChIInChI=1S/C13H15Cl2N3/c1-8-13(15)9(2)18(17-8)12(7-16)10-5-3-4-6-11(10)14/h3-6,12H,7,16H2,1-2H3
InChIKeyNBKFIAWUERQXMR-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.35
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine (PubChem CID 55038887) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
PubChem CID55038887
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
SMILESCc1nn(C(CN)c2ccccc2Cl)c(C)c1Cl
InChIInChI=1S/C13H15Cl2N3/c1-8-13(15)9(2)18(17-8)12(7-16)10-5-3-4-6-11(10)14/h3-6,12H,7,16H2,1-2H3
InChIKeyNBKFIAWUERQXMR-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)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 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine (CID 55038887) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine is Cc1nn(C(CN)c2ccccc2Cl)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is NBKFIAWUERQXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8-13(15)9(2)18(17-8)12(7-16)10-5-3-4-6-11(10)14/h3-6,12H,7,16H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 55038887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).