(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol

C15H20FN3O2 — CID 95750367

IUPAC(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
SMILESCc1cnn(CCNC[C@@H](O)COc2ccc(F)cc2)c1
InChIInChI=1S/C15H20FN3O2/c1-12-8-18-19(10-12)7-6-17-9-14(20)11-21-15-4-2-13(16)3-5-15/h2-5,8,10,14,17,20H,6-7,9,11H2,1H3/t14-/m1/s1
InChIKeyZOZQJIZXTMVYJD-CQSZACIVSA-N
MW293.34 g/mol
LogP1.36
Rot. Bonds8

About (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol

(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol (PubChem CID 95750367) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
PubChem CID95750367
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
SMILESCc1cnn(CCNC[C@@H](O)COc2ccc(F)cc2)c1
InChIInChI=1S/C15H20FN3O2/c1-12-8-18-19(10-12)7-6-17-9-14(20)11-21-15-4-2-13(16)3-5-15/h2-5,8,10,14,17,20H,6-7,9,11H2,1H3/t14-/m1/s1
InChIKeyZOZQJIZXTMVYJD-CQSZACIVSA-N
XLogP1.36
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.36
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

(2S)-1-(4-chlorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95349657
(2R)-1-(4-fluorophenoxy)-3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]propan-2-ol
CID 100844467
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575
1-(4-aminophenoxy)-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 62266674
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
(2S)-1-(4-bromophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 94200272
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
4-[(2R)-2-hydroxy-3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propoxy]benzonitrile
CID 95329703

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol (CID 95750367) is (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol is Cc1cnn(CCNC[C@@H](O)COc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol?
The InChIKey is ZOZQJIZXTMVYJD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-12-8-18-19(10-12)7-6-17-9-14(20)11-21-15-4-2-13(16)3-5-15/h2-5,8,10,14,17,20H,6-7,9,11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol?
(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol has a molecular weight of 293.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 95750367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).