2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine

C14H19N3O2 — CID 117123912

IUPAC2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
SMILESCOc1cccc(-n2nc(C)c(CCN)c2OC)c1
InChIInChI=1S/C14H19N3O2/c1-10-13(7-8-15)14(19-3)17(16-10)11-5-4-6-12(9-11)18-2/h4-6,9H,7-8,15H2,1-3H3
InChIKeyXIVJKTKXBLIYAX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine

2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine (PubChem CID 117123912) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
PubChem CID117123912
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
SMILESCOc1cccc(-n2nc(C)c(CCN)c2OC)c1
InChIInChI=1S/C14H19N3O2/c1-10-13(7-8-15)14(19-3)17(16-10)11-5-4-6-12(9-11)18-2/h4-6,9H,7-8,15H2,1-3H3
InChIKeyXIVJKTKXBLIYAX-UHFFFAOYSA-N
XLogP1.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475232
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
CID 117123906
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine (CID 117123912) is 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine is COc1cccc(-n2nc(C)c(CCN)c2OC)c1.
What is the InChIKey of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
The InChIKey is XIVJKTKXBLIYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-13(7-8-15)14(19-3)17(16-10)11-5-4-6-12(9-11)18-2/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine?
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 117123912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).