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

C17H25N3O — CID 105118243

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1cnn(C)c1C
InChIInChI=1S/C17H25N3O/c1-6-18-16(15-11-19-20(4)13(15)3)10-14-9-12(2)7-8-17(14)21-5/h7-9,11,16,18H,6,10H2,1-5H3
InChIKeyBZHBXKPOLWQHLU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds6

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

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 105118243) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID105118243
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1cnn(C)c1C
InChIInChI=1S/C17H25N3O/c1-6-18-16(15-11-19-20(4)13(15)3)10-14-9-12(2)7-8-17(14)21-5/h7-9,11,16,18H,6,10H2,1-5H3
InChIKeyBZHBXKPOLWQHLU-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

N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105100937
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576
N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826666
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine (CID 105118243) is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine is CCNC(Cc1cc(C)ccc1OC)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is BZHBXKPOLWQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-18-16(15-11-19-20(4)13(15)3)10-14-9-12(2)7-8-17(14)21-5/h7-9,11,16,18H,6,10H2,1-5H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-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 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 105118243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).