(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine

C15H21N3O — CID 79025613

IUPAC(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCc1cc(COc2ccc([C@@H](C)N)cc2)n(C)n1
InChIInChI=1S/C15H21N3O/c1-4-13-9-14(18(3)17-13)10-19-15-7-5-12(6-8-15)11(2)16/h5-9,11H,4,10,16H2,1-3H3/t11-/m1/s1
InChIKeyYFCKWOOXTGVGFR-LLVKDONJSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds5

About (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 79025613) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID79025613
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCCc1cc(COc2ccc([C@@H](C)N)cc2)n(C)n1
InChIInChI=1S/C15H21N3O/c1-4-13-9-14(18(3)17-13)10-19-15-7-5-12(6-8-15)11(2)16/h5-9,11H,4,10,16H2,1-3H3/t11-/m1/s1
InChIKeyYFCKWOOXTGVGFR-LLVKDONJSA-N
XLogP2.58
TPSA53.07 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 102946267
1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719825
5-[(3-bromo-4-fluorophenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 83233382
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013804
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
(1S)-1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862003
[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine (CID 79025613) is (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine is CCc1cc(COc2ccc([C@@H](C)N)cc2)n(C)n1.
What is the InChIKey of (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is YFCKWOOXTGVGFR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-13-9-14(18(3)17-13)10-19-15-7-5-12(6-8-15)11(2)16/h5-9,11H,4,10,16H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79025613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).