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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Related Compounds

1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 79149820
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82527897
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 42955226
5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 42119173
6-ethyl-5-fluoro-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrimidin-4-amine
CID 133418207
N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
CID 62797525
N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107450996

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).