1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol

C15H20FN3O2 — CID 115579730

IUPAC1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
SMILESOC(CNCCCn1cccn1)COc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c16-14-5-1-2-6-15(14)21-12-13(20)11-17-7-3-9-19-10-4-8-18-19/h1-2,4-6,8,10,13,17,20H,3,7,9,11-12H2
InChIKeyYDIXGHWJANEUJM-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.44
Rot. Bonds9

About 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol

1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol (PubChem CID 115579730) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
PubChem CID115579730
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
SMILESOC(CNCCCn1cccn1)COc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c16-14-5-1-2-6-15(14)21-12-13(20)11-17-7-3-9-19-10-4-8-18-19/h1-2,4-6,8,10,13,17,20H,3,7,9,11-12H2
InChIKeyYDIXGHWJANEUJM-UHFFFAOYSA-N
XLogP1.44
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.44
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

1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(cyclopropylmethoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 112684548
(2S)-1-(4-bromophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 94200272
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045102
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The IUPAC name of 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol (CID 115579730) is 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol is OC(CNCCCn1cccn1)COc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
The InChIKey is YDIXGHWJANEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-14-5-1-2-6-15(14)21-12-13(20)11-17-7-3-9-19-10-4-8-18-19/h1-2,4-6,8,10,13,17,20H,3,7,9,11-12H2.
What are the key properties of 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol?
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol has a molecular weight of 293.34 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol is sourced from PubChem (CID 115579730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).