2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol

C13H19N3O3 — CID 43771485

IUPAC2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
SMILESCc1ccc(-c2[nH]ncc2CNCCOCCO)o1
InChIInChI=1S/C13H19N3O3/c1-10-2-3-12(19-10)13-11(9-15-16-13)8-14-4-6-18-7-5-17/h2-3,9,14,17H,4-8H2,1H3,(H,15,16)
InChIKeyWLNITESEZOZSEO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds8

About 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol

2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol (PubChem CID 43771485) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
PubChem CID43771485
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
SMILESCc1ccc(-c2[nH]ncc2CNCCOCCO)o1
InChIInChI=1S/C13H19N3O3/c1-10-2-3-12(19-10)13-11(9-15-16-13)8-14-4-6-18-7-5-17/h2-3,9,14,17H,4-8H2,1H3,(H,15,16)
InChIKeyWLNITESEZOZSEO-UHFFFAOYSA-N
XLogP1.08
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 103081047
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
CID 104980741
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 75690208
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 43763630
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol (CID 43771485) is 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol is Cc1ccc(-c2[nH]ncc2CNCCOCCO)o1.
What is the InChIKey of 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol?
The InChIKey is WLNITESEZOZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-2-3-12(19-10)13-11(9-15-16-13)8-14-4-6-18-7-5-17/h2-3,9,14,17H,4-8H2,1H3,(H,15,16).
What are the key properties of 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol?
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol has a molecular weight of 265.31 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 43771485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).