2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

C17H25N3O — CID 104999107

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(C)c(OC)c2)n(C)n1
InChIInChI=1S/C17H25N3O/c1-6-14-10-15(20(4)19-14)11-16(18-3)13-8-7-12(2)17(9-13)21-5/h7-10,16,18H,6,11H2,1-5H3
InChIKeyWWELETKOMNOBQA-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.80
Rot. Bonds6

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 104999107) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID104999107
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(C)c(OC)c2)n(C)n1
InChIInChI=1S/C17H25N3O/c1-6-14-10-15(20(4)19-14)11-16(18-3)13-8-7-12(2)17(9-13)21-5/h7-10,16,18H,6,11H2,1-5H3
InChIKeyWWELETKOMNOBQA-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106794159
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789926
1-(3-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996322
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375
2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 105412582
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048328
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (CID 104999107) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is CCc1cc(CC(NC)c2ccc(C)c(OC)c2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is WWELETKOMNOBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-14-10-15(20(4)19-14)11-16(18-3)13-8-7-12(2)17(9-13)21-5/h7-10,16,18H,6,11H2,1-5H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 104999107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).