N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine

C17H25N3 — CID 80682119

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2cnn(C)c2)c(C)c1
InChIInChI=1S/C17H25N3/c1-12-8-13(2)17(14(3)9-12)15(4)18-7-6-16-10-19-20(5)11-16/h8-11,15,18H,6-7H2,1-5H3
InChIKeyYAAGZGJYSRNEQW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 80682119) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID80682119
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCc2cnn(C)c2)c(C)c1
InChIInChI=1S/C17H25N3/c1-12-8-13(2)17(14(3)9-12)15(4)18-7-6-16-10-19-20(5)11-16/h8-11,15,18H,6-7H2,1-5H3
InChIKeyYAAGZGJYSRNEQW-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 61349253
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 80682119) is N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCc2cnn(C)c2)c(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is YAAGZGJYSRNEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-8-13(2)17(14(3)9-12)15(4)18-7-6-16-10-19-20(5)11-16/h8-11,15,18H,6-7H2,1-5H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 80682119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).