2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

C15H20FN3O2 — CID 64828620

IUPAC2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCOc1ccc(C(C)NCc2cnn(CCO)c2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-11(13-3-4-15(21-2)14(16)7-13)17-8-12-9-18-19(10-12)5-6-20/h3-4,7,9-11,17,20H,5-6,8H2,1-2H3
InChIKeyXZZRWGYIYRGXEA-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64828620) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64828620
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCOc1ccc(C(C)NCc2cnn(CCO)c2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-11(13-3-4-15(21-2)14(16)7-13)17-8-12-9-18-19(10-12)5-6-20/h3-4,7,9-11,17,20H,5-6,8H2,1-2H3
InChIKeyXZZRWGYIYRGXEA-UHFFFAOYSA-N
XLogP1.87
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 64828620) is 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is COc1ccc(C(C)NCc2cnn(CCO)c2)cc1F.
What is the InChIKey of 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is XZZRWGYIYRGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11(13-3-4-15(21-2)14(16)7-13)17-8-12-9-18-19(10-12)5-6-20/h3-4,7,9-11,17,20H,5-6,8H2,1-2H3.
What are the key properties of 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 293.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64828620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).