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

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

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Related Compounds

N-{3-[5-(tert-butyl)-2-methyl-3-furyl]-1-methyl-1H-pyrazol-5-yl}-2-methylbenzamide
CID 2742277
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 51104780
1-(furan-2-yl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 51104782
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylfuran-3-yl)methanamine
CID 53554478
2-[5-[(5-Ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 71969720
2-[5-[(4-Fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75388911
2-(5-amino-3-(2-methylfuran-3-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 16228567
N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine
CID 45100065
3-{3,5-Dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-[(furan-2-YL)methyl]propanamide
CID 20946854
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide
CID 71933976
4-fluoro-N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]benzamide
CID 71933977
N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide
CID 71935022

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).