1,4-dihydrofuro[3,4-d]pyrazol-6-one

C5H4N2O2 — CID 15525654

IUPAC1,4-dihydrofuro[3,4-d]pyrazol-6-one
SMILESO=C1OCc2cn[nH]c21
InChIInChI=1S/C5H4N2O2/c8-5-4-3(2-9-5)1-6-7-4/h1H,2H2,(H,6,7)
InChIKeyPHNPUYVDCUKBCL-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.08
Rot. Bonds

About 1,4-dihydrofuro[3,4-d]pyrazol-6-one

1,4-dihydrofuro[3,4-d]pyrazol-6-one (PubChem CID 15525654) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 1,4-dihydrofuro[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name1,4-dihydrofuro[3,4-d]pyrazol-6-one
PubChem CID15525654
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name1,4-dihydrofuro[3,4-d]pyrazol-6-one
SMILESO=C1OCc2cn[nH]c21
InChIInChI=1S/C5H4N2O2/c8-5-4-3(2-9-5)1-6-7-4/h1H,2H2,(H,6,7)
InChIKeyPHNPUYVDCUKBCL-UHFFFAOYSA-N
XLogP0.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydrofuro[3,4-d]pyrazol-6-one?
The IUPAC name of 1,4-dihydrofuro[3,4-d]pyrazol-6-one (CID 15525654) is 1,4-dihydrofuro[3,4-d]pyrazol-6-one.
What is the SMILES notation for 1,4-dihydrofuro[3,4-d]pyrazol-6-one?
The canonical SMILES for 1,4-dihydrofuro[3,4-d]pyrazol-6-one is O=C1OCc2cn[nH]c21.
What is the InChIKey of 1,4-dihydrofuro[3,4-d]pyrazol-6-one?
The InChIKey is PHNPUYVDCUKBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-5-4-3(2-9-5)1-6-7-4/h1H,2H2,(H,6,7).
What are the key properties of 1,4-dihydrofuro[3,4-d]pyrazol-6-one?
1,4-dihydrofuro[3,4-d]pyrazol-6-one has a molecular weight of 124.10 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydrofuro[3,4-d]pyrazol-6-one is sourced from PubChem (CID 15525654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).