2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine

C13H19N3O3 — CID 60817298

IUPAC2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCOC(CNCc1cn[nH]c1-c1ccc(C)o1)OC
InChIInChI=1S/C13H19N3O3/c1-9-4-5-11(19-9)13-10(7-15-16-13)6-14-8-12(17-2)18-3/h4-5,7,12,14H,6,8H2,1-3H3,(H,15,16)
InChIKeyDHDCBUSTMUBCFL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.69
Rot. Bonds7

About 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine

2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 60817298) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID60817298
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCOC(CNCc1cn[nH]c1-c1ccc(C)o1)OC
InChIInChI=1S/C13H19N3O3/c1-9-4-5-11(19-9)13-10(7-15-16-13)6-14-8-12(17-2)18-3/h4-5,7,12,14H,6,8H2,1-3H3,(H,15,16)
InChIKeyDHDCBUSTMUBCFL-UHFFFAOYSA-N
XLogP1.69
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122307
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 103081047
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
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
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
CID 104980741
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-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 60817298) is 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine is COC(CNCc1cn[nH]c1-c1ccc(C)o1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is DHDCBUSTMUBCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-5-11(19-9)13-10(7-15-16-13)6-14-8-12(17-2)18-3/h4-5,7,12,14H,6,8H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 60817298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).