2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

C13H16ClN3O — CID 114646649

IUPAC2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O/c1-17-13(12(18-2)8-16-17)11(15)7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,15H2,1-2H3
InChIKeyUIICAXAIQCRZDM-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (PubChem CID 114646649) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
PubChem CID114646649
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCOc1cnn(C)c1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O/c1-17-13(12(18-2)8-16-17)11(15)7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,15H2,1-2H3
InChIKeyUIICAXAIQCRZDM-UHFFFAOYSA-N
XLogP2.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-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

1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642942
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (CID 114646649) is 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is COc1cnn(C)c1C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is UIICAXAIQCRZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17-13(12(18-2)8-16-17)11(15)7-9-3-5-10(14)6-4-9/h3-6,8,11H,7,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114646649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).