2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

C17H25N3 — CID 105174518

IUPAC2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(C(Cc2c(C)cccc2C)NC)n(C)n1
InChIInChI=1S/C17H25N3/c1-6-14-10-17(20(5)19-14)16(18-4)11-15-12(2)8-7-9-13(15)3/h7-10,16,18H,6,11H2,1-5H3
InChIKeyKXEISUTXRWYMPT-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.10
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105174518) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID105174518
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(C(Cc2c(C)cccc2C)NC)n(C)n1
InChIInChI=1S/C17H25N3/c1-6-14-10-17(20(5)19-14)16(18-4)11-15-12(2)8-7-9-13(15)3/h7-10,16,18H,6,11H2,1-5H3
InChIKeyKXEISUTXRWYMPT-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105117177
2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 105165261
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
CID 105102750
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105167615
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 105091416
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 105168439

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (CID 105174518) is 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is CCc1cc(C(Cc2c(C)cccc2C)NC)n(C)n1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is KXEISUTXRWYMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-14-10-17(20(5)19-14)16(18-4)11-15-12(2)8-7-9-13(15)3/h7-10,16,18H,6,11H2,1-5H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105174518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).