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

C13H17F2N3O2 — CID 103081047

IUPAC2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCCOCC(F)F)o1
InChIInChI=1S/C13H17F2N3O2/c1-9-2-3-11(20-9)13-10(7-17-18-13)6-16-4-5-19-8-12(14)15/h2-3,7,12,16H,4-6,8H2,1H3,(H,17,18)
InChIKeyDWHXHZHUVLDRLN-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.35
Rot. Bonds8

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

2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 103081047) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID103081047
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCCOCC(F)F)o1
InChIInChI=1S/C13H17F2N3O2/c1-9-2-3-11(20-9)13-10(7-17-18-13)6-16-4-5-19-8-12(14)15/h2-3,7,12,16H,4-6,8H2,1H3,(H,17,18)
InChIKeyDWHXHZHUVLDRLN-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 103081047) is 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine is Cc1ccc(-c2[nH]ncc2CNCCOCC(F)F)o1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is DWHXHZHUVLDRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-9-2-3-11(20-9)13-10(7-17-18-13)6-16-4-5-19-8-12(14)15/h2-3,7,12,16H,4-6,8H2,1H3,(H,17,18).
What are the key properties of 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 285.29 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103081047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).