1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol

C13H16FN3O — CID 56828862

IUPAC1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1cccn1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3O/c14-12-4-1-3-11(9-12)13(18)10-15-6-8-17-7-2-5-16-17/h1-5,7,9,13,15,18H,6,8,10H2
InChIKeyCKOJASLLZAINLB-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.35
Rot. Bonds6

About 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol

1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol (PubChem CID 56828862) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
PubChem CID56828862
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1cccn1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3O/c14-12-4-1-3-11(9-12)13(18)10-15-6-8-17-7-2-5-16-17/h1-5,7,9,13,15,18H,6,8,10H2
InChIKeyCKOJASLLZAINLB-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.35
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-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
2-[[1-(4-Bromo-1H-pyrazol-1-yl)propan-2-yl]amino]-1-(3-methylphenyl)ethan-1-ol
CID 75441596
4-(1H-Pyrazol-1-ylmethyl)benzenemethanol
CID 16640562
1-(1-Ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea
CID 47200304
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
2-(2-Pyrazol-1-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53536747
2-[3-(4-Methylpyrazol-1-yl)azetidin-1-yl]-1-phenylethanol
CID 53607212
1-(3,4-Difluorophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 53621988
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53622386
1-(4-Bromophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 53623200
1-(3-Bromophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 56780231

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol (CID 56828862) is 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol is OC(CNCCn1cccn1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
The InChIKey is CKOJASLLZAINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-12-4-1-3-11(9-12)13(18)10-15-6-8-17-7-2-5-16-17/h1-5,7,9,13,15,18H,6,8,10H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol?
1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol has a molecular weight of 249.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol is sourced from PubChem (CID 56828862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).