1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine

C15H21N3O — CID 107958317

IUPAC1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
SMILESCCOc1ccc(-n2ncc(C(C)NC)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)18-12(3)15(10-17-18)11(2)16-4/h6-11,16H,5H2,1-4H3
InChIKeyYYUREJAKVHWXCQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine

1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine (PubChem CID 107958317) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
PubChem CID107958317
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
SMILESCCOc1ccc(-n2ncc(C(C)NC)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)18-12(3)15(10-17-18)11(2)16-4/h6-11,16H,5H2,1-4H3
InChIKeyYYUREJAKVHWXCQ-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine (CID 107958317) is 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine is CCOc1ccc(-n2ncc(C(C)NC)c2C)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is YYUREJAKVHWXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-19-14-8-6-13(7-9-14)18-12(3)15(10-17-18)11(2)16-4/h6-11,16H,5H2,1-4H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine?
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 107958317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).