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

C13H16ClN3 — CID 102803032

IUPAC2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(N)Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-9-11(8-17(2)16-9)13(15)7-10-5-3-4-6-12(10)14/h3-6,8,13H,7,15H2,1-2H3
InChIKeyWHVAZMLOUGTPAG-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.62
Rot. Bonds3

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

2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 102803032) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID102803032
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(N)Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-9-11(8-17(2)16-9)13(15)7-10-5-3-4-6-12(10)14/h3-6,8,13H,7,15H2,1-2H3
InChIKeyWHVAZMLOUGTPAG-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2,6-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803154
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103042987
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 102803032) is 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(N)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is WHVAZMLOUGTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-11(8-17(2)16-9)13(15)7-10-5-3-4-6-12(10)14/h3-6,8,13H,7,15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102803032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).