2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

C17H21N3O3 — CID 71969720

IUPAC2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCCc1ccc(CNc2cc(-c3ccoc3C)nn2CCO)o1
InChIInChI=1S/C17H21N3O3/c1-3-13-4-5-14(23-13)11-18-17-10-16(19-20(17)7-8-21)15-6-9-22-12(15)2/h4-6,9-10,18,21H,3,7-8,11H2,1-2H3
InChIKeyHXUYDUSNSLZYDH-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.21
Rot. Bonds7

About 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (PubChem CID 71969720) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
PubChem CID71969720
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCCc1ccc(CNc2cc(-c3ccoc3C)nn2CCO)o1
InChIInChI=1S/C17H21N3O3/c1-3-13-4-5-14(23-13)11-18-17-10-16(19-20(17)7-8-21)15-6-9-22-12(15)2/h4-6,9-10,18,21H,3,7-8,11H2,1-2H3
InChIKeyHXUYDUSNSLZYDH-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (CID 71969720) is 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is CCc1ccc(CNc2cc(-c3ccoc3C)nn2CCO)o1.
What is the InChIKey of 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is HXUYDUSNSLZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-13-4-5-14(23-13)11-18-17-10-16(19-20(17)7-8-21)15-6-9-22-12(15)2/h4-6,9-10,18,21H,3,7-8,11H2,1-2H3.
What are the key properties of 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 315.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 71969720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).