1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol

C15H21N3O2 — CID 81134031

IUPAC1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
SMILESCOc1cccc(C(O)CNCCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3O2/c1-18-11-12(9-17-18)6-7-16-10-15(19)13-4-3-5-14(8-13)20-2/h3-5,8-9,11,15-16,19H,6-7,10H2,1-2H3
InChIKeyOPFREIMODKIVCC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.29
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol

1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol (PubChem CID 81134031) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
PubChem CID81134031
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
SMILESCOc1cccc(C(O)CNCCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3O2/c1-18-11-12(9-17-18)6-7-16-10-15(19)13-4-3-5-14(8-13)20-2/h3-5,8-9,11,15-16,19H,6-7,10H2,1-2H3
InChIKeyOPFREIMODKIVCC-UHFFFAOYSA-N
XLogP1.29
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
1-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)ethylamino]ethanol
CID 81133901
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 122142087

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol (CID 81134031) is 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol is COc1cccc(C(O)CNCCc2cnn(C)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol?
The InChIKey is OPFREIMODKIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-11-12(9-17-18)6-7-16-10-15(19)13-4-3-5-14(8-13)20-2/h3-5,8-9,11,15-16,19H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol?
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol is sourced from PubChem (CID 81134031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).