N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine

C15H21N3O — CID 79168453

IUPACN-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCNC(C)c1cccc(Oc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3O/c1-10(16-4)13-7-6-8-14(9-13)19-15-11(2)17-18(5)12(15)3/h6-10,16H,1-5H3
InChIKeyZESWEFLTNGFEPM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine

N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 79168453) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID79168453
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCNC(C)c1cccc(Oc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3O/c1-10(16-4)13-7-6-8-14(9-13)19-15-11(2)17-18(5)12(15)3/h6-10,16H,1-5H3
InChIKeyZESWEFLTNGFEPM-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine (CID 79168453) is N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine is CNC(C)c1cccc(Oc2c(C)nn(C)c2C)c1.
What is the InChIKey of N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is ZESWEFLTNGFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(16-4)13-7-6-8-14(9-13)19-15-11(2)17-18(5)12(15)3/h6-10,16H,1-5H3.
What are the key properties of N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine?
N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 79168453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).