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

C17H21N3O3 — CID 75438030

IUPAC2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCc1cc(CNc2cc(-c3ccoc3C)nn2CCO)c(C)o1
InChIInChI=1S/C17H21N3O3/c1-11-8-14(12(2)23-11)10-18-17-9-16(19-20(17)5-6-21)15-4-7-22-13(15)3/h4,7-9,18,21H,5-6,10H2,1-3H3
InChIKeyPWRBAINOSTWWCP-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.27
Rot. Bonds6

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

2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (PubChem CID 75438030) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
PubChem CID75438030
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCc1cc(CNc2cc(-c3ccoc3C)nn2CCO)c(C)o1
InChIInChI=1S/C17H21N3O3/c1-11-8-14(12(2)23-11)10-18-17-9-16(19-20(17)5-6-21)15-4-7-22-13(15)3/h4,7-9,18,21H,5-6,10H2,1-3H3
InChIKeyPWRBAINOSTWWCP-UHFFFAOYSA-N
XLogP3.27
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (CID 75438030) is 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is Cc1cc(CNc2cc(-c3ccoc3C)nn2CCO)c(C)o1.
What is the InChIKey of 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is PWRBAINOSTWWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-8-14(12(2)23-11)10-18-17-9-16(19-20(17)5-6-21)15-4-7-22-13(15)3/h4,7-9,18,21H,5-6,10H2,1-3H3.
What are the key properties of 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 315.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethylfuran-3-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 75438030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).