2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

C18H20FN3O3 — CID 75388911

IUPAC2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCOc1cc(CNc2cc(-c3ccoc3C)nn2CCO)ccc1F
InChIInChI=1S/C18H20FN3O3/c1-12-14(5-8-25-12)16-10-18(22(21-16)6-7-23)20-11-13-3-4-15(19)17(9-13)24-2/h3-5,8-10,20,23H,6-7,11H2,1-2H3
InChIKeyVPLLWGOIUOYBCO-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.20
Rot. Bonds7

About 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (PubChem CID 75388911) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
PubChem CID75388911
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCOc1cc(CNc2cc(-c3ccoc3C)nn2CCO)ccc1F
InChIInChI=1S/C18H20FN3O3/c1-12-14(5-8-25-12)16-10-18(22(21-16)6-7-23)20-11-13-3-4-15(19)17(9-13)24-2/h3-5,8-10,20,23H,6-7,11H2,1-2H3
InChIKeyVPLLWGOIUOYBCO-UHFFFAOYSA-N
XLogP3.20
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (CID 75388911) is 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is COc1cc(CNc2cc(-c3ccoc3C)nn2CCO)ccc1F.
What is the InChIKey of 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is VPLLWGOIUOYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-14(5-8-25-12)16-10-18(22(21-16)6-7-23)20-11-13-3-4-15(19)17(9-13)24-2/h3-5,8-10,20,23H,6-7,11H2,1-2H3.
What are the key properties of 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 345.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 75388911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).