(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine

C17H25N3O — CID 79025599

IUPAC(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
SMILESCCc1cc(COc2ccc(C)cc2[C@H](C)N)n(CC)n1
InChIInChI=1S/C17H25N3O/c1-5-14-10-15(20(6-2)19-14)11-21-17-8-7-12(3)9-16(17)13(4)18/h7-10,13H,5-6,11,18H2,1-4H3/t13-/m0/s1
InChIKeyNYXXJGNROBPMCX-ZDUSSCGKSA-N
MW287.41 g/mol
LogP3.37
Rot. Bonds6

About (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine

(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine (PubChem CID 79025599) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
PubChem CID79025599
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
SMILESCCc1cc(COc2ccc(C)cc2[C@H](C)N)n(CC)n1
InChIInChI=1S/C17H25N3O/c1-5-14-10-15(20(6-2)19-14)11-21-17-8-7-12(3)9-16(17)13(4)18/h7-10,13H,5-6,11,18H2,1-4H3/t13-/m0/s1
InChIKeyNYXXJGNROBPMCX-ZDUSSCGKSA-N
XLogP3.37
TPSA53.07 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 79025610
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
(1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936260
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
CID 60887486
1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)-5-methylphenyl]ethanamine
CID 60888457

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine (CID 79025599) is (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine is CCc1cc(COc2ccc(C)cc2[C@H](C)N)n(CC)n1.
What is the InChIKey of (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine?
The InChIKey is NYXXJGNROBPMCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14-10-15(20(6-2)19-14)11-21-17-8-7-12(3)9-16(17)13(4)18/h7-10,13H,5-6,11,18H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine?
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine is sourced from PubChem (CID 79025599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).