1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C18H27N3 — CID 105002816

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)c1ccc(C)cc1C
InChIInChI=1S/C18H27N3/c1-6-19-18(17-9-8-13(3)10-14(17)4)12-16-11-15(5)20-21(16)7-2/h8-11,18-19H,6-7,12H2,1-5H3
InChIKeyMMSDDOZGAZFNNR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.72
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105002816) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105002816
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)c1ccc(C)cc1C
InChIInChI=1S/C18H27N3/c1-6-19-18(17-9-8-13(3)10-14(17)4)12-16-11-15(5)20-21(16)7-2/h8-11,18-19H,6-7,12H2,1-5H3
InChIKeyMMSDDOZGAZFNNR-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002651
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002769
1-(2,5-dibromophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002758
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002683
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105162407
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261743

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105002816) is 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCNC(Cc1cc(C)nn1CC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is MMSDDOZGAZFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-19-18(17-9-8-13(3)10-14(17)4)12-16-11-15(5)20-21(16)7-2/h8-11,18-19H,6-7,12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105002816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).