1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

C15H21N3O — CID 84760326

IUPAC1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccc(-n2nc(C)c(CNC)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)18-12(3)15(10-16-4)11(2)17-18/h6-9,16H,5,10H2,1-4H3
InChIKeyJMIXBZSHIXVGSO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 84760326) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID84760326
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccc(-n2nc(C)c(CNC)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)18-12(3)15(10-16-4)11(2)17-18/h6-9,16H,5,10H2,1-4H3
InChIKeyJMIXBZSHIXVGSO-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzoate
CID 84760313
1-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760351
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzamide
CID 84760316
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772
1-[1-(4-ethoxyphenyl)imidazol-4-yl]-N-methylmethanamine
CID 114203964
4-chloro-1-(4-ethoxyphenyl)-3-methylpyrazol-5-amine
CID 114020779
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55756886
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 43233364
5-chloro-1-(4-ethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 82303923
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 84760326) is 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is CCOc1ccc(-n2nc(C)c(CNC)c2C)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JMIXBZSHIXVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)18-12(3)15(10-16-4)11(2)17-18/h6-9,16H,5,10H2,1-4H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 84760326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).