N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine

C15H22N4 — CID 105114831

IUPACN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1cccnc1C
InChIInChI=1S/C15H22N4/c1-4-16-15(14-7-6-8-17-12(14)3)9-13-10-18-19(5-2)11-13/h6-8,10-11,15-16H,4-5,9H2,1-3H3
InChIKeyWOXMUFBWTHSAJN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine (PubChem CID 105114831) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
PubChem CID105114831
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1cccnc1C
InChIInChI=1S/C15H22N4/c1-4-16-15(14-7-6-8-17-12(14)3)9-13-10-18-19(5-2)11-13/h6-8,10-11,15-16H,4-5,9H2,1-3H3
InChIKeyWOXMUFBWTHSAJN-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105101754
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
N-[1-(3-chloro-2-methylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 107102137
[1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291272
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822270
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine (CID 105114831) is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine is CCNC(Cc1cnn(CC)c1)c1cccnc1C.
What is the InChIKey of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine?
The InChIKey is WOXMUFBWTHSAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-16-15(14-7-6-8-17-12(14)3)9-13-10-18-19(5-2)11-13/h6-8,10-11,15-16H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine?
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105114831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).