5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide

C13H16N4O4 — CID 86984728

IUPAC5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H16N4O4/c1-20-6-4-14-12(18)8-15-13(19)10-7-9(16-17-10)11-3-2-5-21-11/h2-3,5,7H,4,6,8H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyAMEFPUBUNAAPKG-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.16
Rot. Bonds7

About 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide (PubChem CID 86984728) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
PubChem CID86984728
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H16N4O4/c1-20-6-4-14-12(18)8-15-13(19)10-7-9(16-17-10)11-3-2-5-21-11/h2-3,5,7H,4,6,8H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyAMEFPUBUNAAPKG-UHFFFAOYSA-N
XLogP0.16
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide (CID 86984728) is 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide is COCCNC(=O)CNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AMEFPUBUNAAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-20-6-4-14-12(18)8-15-13(19)10-7-9(16-17-10)11-3-2-5-21-11/h2-3,5,7H,4,6,8H2,1H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86984728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).