2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine

C13H16ClN3O — CID 82486849

IUPAC2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCOc1ccc(Cl)cc1-c1n[nH]c(C)c1CCN
InChIInChI=1S/C13H16ClN3O/c1-8-10(5-6-15)13(17-16-8)11-7-9(14)3-4-12(11)18-2/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyJRJOJQTYMRYNHB-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine

2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine (PubChem CID 82486849) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
PubChem CID82486849
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCOc1ccc(Cl)cc1-c1n[nH]c(C)c1CCN
InChIInChI=1S/C13H16ClN3O/c1-8-10(5-6-15)13(17-16-8)11-7-9(14)3-4-12(11)18-2/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyJRJOJQTYMRYNHB-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

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Related Compounds

[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine
CID 82478249
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
CID 91794027
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(5-chloro-2-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 39219209
2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753
2-[3-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82478929
3-(5-chloro-2-methoxyphenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82446407

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine (CID 82486849) is 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine is COc1ccc(Cl)cc1-c1n[nH]c(C)c1CCN.
What is the InChIKey of 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The InChIKey is JRJOJQTYMRYNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-10(5-6-15)13(17-16-8)11-7-9(14)3-4-12(11)18-2/h3-4,7H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-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-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).