1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C15H21N3 — CID 115822011

IUPAC1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCc1ccccc1C(Cc1cnn(C)c1)NC
InChIInChI=1S/C15H21N3/c1-4-13-7-5-6-8-14(13)15(16-2)9-12-10-17-18(3)11-12/h5-8,10-11,15-16H,4,9H2,1-3H3
InChIKeyZVKOUAVJPYQKCY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115822011) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115822011
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCc1ccccc1C(Cc1cnn(C)c1)NC
InChIInChI=1S/C15H21N3/c1-4-13-7-5-6-8-14(13)15(16-2)9-12-10-17-18(3)11-12/h5-8,10-11,15-16H,4,9H2,1-3H3
InChIKeyZVKOUAVJPYQKCY-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821686
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
CID 114755156

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 115822011) is 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CCc1ccccc1C(Cc1cnn(C)c1)NC.
What is the InChIKey of 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is ZVKOUAVJPYQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-13-7-5-6-8-14(13)15(16-2)9-12-10-17-18(3)11-12/h5-8,10-11,15-16H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).