1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

C17H25N3O — CID 104999140

IUPAC1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cc(CC)nn2C)NC)cc1
InChIInChI=1S/C17H25N3O/c1-5-14-11-15(20(4)19-14)12-17(18-3)13-7-9-16(10-8-13)21-6-2/h7-11,17-18H,5-6,12H2,1-4H3
InChIKeyPWEXJJLMEJPFIQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.88
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 104999140) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID104999140
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2cc(CC)nn2C)NC)cc1
InChIInChI=1S/C17H25N3O/c1-5-14-11-15(20(4)19-14)12-17(18-3)13-7-9-16(10-8-13)21-6-2/h7-11,17-18H,5-6,12H2,1-4H3
InChIKeyPWEXJJLMEJPFIQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 104999107
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789926
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999166
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (CID 104999140) is 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is CCOc1ccc(C(Cc2cc(CC)nn2C)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is PWEXJJLMEJPFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14-11-15(20(4)19-14)12-17(18-3)13-7-9-16(10-8-13)21-6-2/h7-11,17-18H,5-6,12H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 104999140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).