1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol

C15H21N3O — CID 106695853

IUPAC1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cccc(N)c2)n(CC)n1
InChIInChI=1S/C15H21N3O/c1-3-13-9-14(18(4-2)17-13)10-15(19)11-6-5-7-12(16)8-11/h5-9,15,19H,3-4,10,16H2,1-2H3
InChIKeyDABYQYGQXHJFNG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds5

About 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol

1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 106695853) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID106695853
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cccc(N)c2)n(CC)n1
InChIInChI=1S/C15H21N3O/c1-3-13-9-14(18(4-2)17-13)10-15(19)11-6-5-7-12(16)8-11/h5-9,15,19H,3-4,10,16H2,1-2H3
InChIKeyDABYQYGQXHJFNG-UHFFFAOYSA-N
XLogP2.32
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115480834
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 106695693
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
3-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]aniline
CID 81180286
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
2-(3-chlorophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431093
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
2-(3-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431382
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol (CID 106695853) is 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2cccc(N)c2)n(CC)n1.
What is the InChIKey of 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is DABYQYGQXHJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-13-9-14(18(4-2)17-13)10-15(19)11-6-5-7-12(16)8-11/h5-9,15,19H,3-4,10,16H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 106695853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).