1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol

C17H24FN3O2 — CID 111104680

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCCn1nc(C)c(CNCC(O)COc2ccc(F)cc2)c1C
InChIInChI=1S/C17H24FN3O2/c1-4-21-13(3)17(12(2)20-21)10-19-9-15(22)11-23-16-7-5-14(18)6-8-16/h5-8,15,19,22H,4,9-11H2,1-3H3
InChIKeyILONHYHECXXZAD-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.19
Rot. Bonds8

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 111104680) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID111104680
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCCn1nc(C)c(CNCC(O)COc2ccc(F)cc2)c1C
InChIInChI=1S/C17H24FN3O2/c1-4-21-13(3)17(12(2)20-21)10-19-9-15(22)11-23-16-7-5-14(18)6-8-16/h5-8,15,19,22H,4,9-11H2,1-3H3
InChIKeyILONHYHECXXZAD-UHFFFAOYSA-N
XLogP2.19
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955427
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 86884985
4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 56814710
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 111427348
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 106302975

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol (CID 111104680) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol is CCn1nc(C)c(CNCC(O)COc2ccc(F)cc2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is ILONHYHECXXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-4-21-13(3)17(12(2)20-21)10-19-9-15(22)11-23-16-7-5-14(18)6-8-16/h5-8,15,19,22H,4,9-11H2,1-3H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 321.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 111104680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).