3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol

C15H20FN3O — CID 155119483

IUPAC3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)NCCCn1cccn1
InChIInChI=1S/C15H20FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)17-7-1-9-19-10-2-8-18-19/h2-6,8,10,15,17,20H,1,7,9,11-12H2
InChIKeyHUHXVGQHEPRDEC-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.61
Rot. Bonds8

About 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol

3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol (PubChem CID 155119483) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
PubChem CID155119483
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)NCCCn1cccn1
InChIInChI=1S/C15H20FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)17-7-1-9-19-10-2-8-18-19/h2-6,8,10,15,17,20H,1,7,9,11-12H2
InChIKeyHUHXVGQHEPRDEC-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.61
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
(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
CID 81347351
1-[[4-(Trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809228
n-(2-(1h-Pyrazol-1-yl)ethyl)-1-(2-fluorophenyl)ethan-1-amine
CID 53524192
1-(2,5-difluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 53531932
1-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 53531934
2-(2-Pyrazol-1-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53536747
1-(3,4-Difluorophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 53621988
1-(3-Fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828862
1-(3,4-Difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828863
(2S,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470069
(2S,3S)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470406

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol (CID 155119483) is 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol is OCC(Cc1ccc(F)cc1)NCCCn1cccn1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol?
The InChIKey is HUHXVGQHEPRDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-14-5-3-13(4-6-14)11-15(12-20)17-7-1-9-19-10-2-8-18-19/h2-6,8,10,15,17,20H,1,7,9,11-12H2.
What are the key properties of 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol?
3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol has a molecular weight of 277.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol is sourced from PubChem (CID 155119483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).