1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol

C15H21N3O — CID 56780909

IUPAC1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
SMILESCc1ccc(C(O)CNCCn2cccn2)cc1C
InChIInChI=1S/C15H21N3O/c1-12-4-5-14(10-13(12)2)15(19)11-16-7-9-18-8-3-6-17-18/h3-6,8,10,15-16,19H,7,9,11H2,1-2H3
InChIKeyUQPPAXUROFQCRI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.82
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol

1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol (PubChem CID 56780909) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
PubChem CID56780909
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
SMILESCc1ccc(C(O)CNCCn2cccn2)cc1C
InChIInChI=1S/C15H21N3O/c1-12-4-5-14(10-13(12)2)15(19)11-16-7-9-18-8-3-6-17-18/h3-6,8,10,15-16,19H,7,9,11H2,1-2H3
InChIKeyUQPPAXUROFQCRI-UHFFFAOYSA-N
XLogP1.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
1-(2,6-difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 61462656
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea
CID 124855579
1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
2-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridazin-3-one
CID 55126638
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61491656

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol (CID 56780909) is 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol is Cc1ccc(C(O)CNCCn2cccn2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The InChIKey is UQPPAXUROFQCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-4-5-14(10-13(12)2)15(19)11-16-7-9-18-8-3-6-17-18/h3-6,8,10,15-16,19H,7,9,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol has a molecular weight of 259.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol is sourced from PubChem (CID 56780909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).