2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine

C13H16ClN3O — CID 82486872

IUPAC2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1c(C)cc(Cl)cc1-c1cc(CCN)[nH]n1
InChIInChI=1S/C13H16ClN3O/c1-8-5-9(14)6-11(13(8)18-2)12-7-10(3-4-15)16-17-12/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyMCEQWSVOITVLCU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine

2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82486872) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82486872
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1c(C)cc(Cl)cc1-c1cc(CCN)[nH]n1
InChIInChI=1S/C13H16ClN3O/c1-8-5-9(14)6-11(13(8)18-2)12-7-10(3-4-15)16-17-12/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyMCEQWSVOITVLCU-UHFFFAOYSA-N
XLogP2.55
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-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

2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
[6-(5-chloro-2-methoxy-3-methylphenyl)pyridazin-3-yl]methanamine
CID 82303524
5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3570755
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
CID 116869044
2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
CID 82484043
4-bromo-3-(5-chloro-2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole
CID 116856682
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 96669283
4-(5-chloro-2-methoxy-3-methylphenyl)-2-ethyltriazole
CID 167276473
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine (CID 82486872) is 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine is COc1c(C)cc(Cl)cc1-c1cc(CCN)[nH]n1.
What is the InChIKey of 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is MCEQWSVOITVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-5-9(14)6-11(13(8)18-2)12-7-10(3-4-15)16-17-12/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine?
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82486872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).