3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one

C7H6N2O4 — CID 57107919

IUPAC3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one
SMILESO=C1NN=C(c2ccco2)C1(O)O
InChIInChI=1S/C7H6N2O4/c10-6-7(11,12)5(8-9-6)4-2-1-3-13-4/h1-3,11-12H,(H,9,10)
InChIKeyWRHMCMAVZFZXFX-UHFFFAOYSA-N
MW182.14 g/mol
LogP-1.21
Rot. Bonds1

About 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one

3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one (PubChem CID 57107919) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one
PubChem CID57107919
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one
SMILESO=C1NN=C(c2ccco2)C1(O)O
InChIInChI=1S/C7H6N2O4/c10-6-7(11,12)5(8-9-6)4-2-1-3-13-4/h1-3,11-12H,(H,9,10)
InChIKeyWRHMCMAVZFZXFX-UHFFFAOYSA-N
XLogP-1.21
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one?
The IUPAC name of 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one (CID 57107919) is 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one.
What is the SMILES notation for 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one?
The canonical SMILES for 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one is O=C1NN=C(c2ccco2)C1(O)O.
What is the InChIKey of 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one?
The InChIKey is WRHMCMAVZFZXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-6-7(11,12)5(8-9-6)4-2-1-3-13-4/h1-3,11-12H,(H,9,10).
What are the key properties of 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one?
3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one has a molecular weight of 182.14 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4,4-dihydroxy-1H-pyrazol-5-one is sourced from PubChem (CID 57107919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).