2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine

C18H27N3 — CID 105001550

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(C)cc2C)n(CC)n1
InChIInChI=1S/C18H27N3/c1-6-15-11-16(21(7-2)20-15)12-18(19-5)17-9-8-13(3)10-14(17)4/h8-11,18-19H,6-7,12H2,1-5H3
InChIKeyJQFMRKQMOVEKRB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.59
Rot. Bonds6

About 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine

2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine (PubChem CID 105001550) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
PubChem CID105001550
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2ccc(C)cc2C)n(CC)n1
InChIInChI=1S/C18H27N3/c1-6-15-11-16(21(7-2)20-15)12-18(19-5)17-9-8-13(3)10-14(17)4/h8-11,18-19H,6-7,12H2,1-5H3
InChIKeyJQFMRKQMOVEKRB-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002816
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105161681
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001665
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
[2-(1,3-diethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279906
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(2-chloro-6-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001764
2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 82693699
2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 106867142

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine (CID 105001550) is 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine is CCc1cc(CC(NC)c2ccc(C)cc2C)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is JQFMRKQMOVEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-15-11-16(21(7-2)20-15)12-18(19-5)17-9-8-13(3)10-14(17)4/h8-11,18-19H,6-7,12H2,1-5H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 105001550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).