2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine

C17H25N3O — CID 104996043

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccc(OCC)cc1
InChIInChI=1S/C17H25N3O/c1-5-18-17(12-15-11-13(3)19-20(15)4)14-7-9-16(10-8-14)21-6-2/h7-11,17-18H,5-6,12H2,1-4H3
InChIKeyYTVSOKXJDQSENN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds7

About 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine (PubChem CID 104996043) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
PubChem CID104996043
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccc(OCC)cc1
InChIInChI=1S/C17H25N3O/c1-5-18-17(12-15-11-13(3)19-20(15)4)14-7-9-16(10-8-14)21-6-2/h7-11,17-18H,5-6,12H2,1-4H3
InChIKeyYTVSOKXJDQSENN-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996026
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64634610
N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755498
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine (CID 104996043) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine is CCNC(Cc1cc(C)nn1C)c1ccc(OCC)cc1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is YTVSOKXJDQSENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-17(12-15-11-13(3)19-20(15)4)14-7-9-16(10-8-14)21-6-2/h7-11,17-18H,5-6,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.02, 7 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)-1-(4-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 104996043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).