2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine

C17H25N3O — CID 106792395

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccc(C)cc1OC
InChIInChI=1S/C17H25N3O/c1-6-18-16(11-14-10-13(3)19-20(14)4)15-8-7-12(2)9-17(15)21-5/h7-10,16,18H,6,11H2,1-5H3
InChIKeyBQMHIABULFIAKW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds6

About 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106792395) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106792395
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccc(C)cc1OC
InChIInChI=1S/C17H25N3O/c1-6-18-16(11-14-10-13(3)19-20(14)4)15-8-7-12(2)9-17(15)21-5/h7-10,16,18H,6,11H2,1-5H3
InChIKeyBQMHIABULFIAKW-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106794159
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107051522
N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996088
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002816
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106792395) is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine is CCNC(Cc1cc(C)nn1C)c1ccc(C)cc1OC.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is BQMHIABULFIAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-18-16(11-14-10-13(3)19-20(14)4)15-8-7-12(2)9-17(15)21-5/h7-10,16,18H,6,11H2,1-5H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106792395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).