4-hydroxy-3,4-dihydropyrazol-5-one

C3H4N2O2 — CID 151342510

IUPAC4-hydroxy-3,4-dihydropyrazol-5-one
SMILESO=C1N=NCC1O
InChIInChI=1S/C3H4N2O2/c6-2-1-4-5-3(2)7/h2,6H,1H2
InChIKeyOKTWVKYULKWBMW-UHFFFAOYSA-N
MW100.08 g/mol
LogP-0.66
Rot. Bonds

About 4-hydroxy-3,4-dihydropyrazol-5-one

4-hydroxy-3,4-dihydropyrazol-5-one (PubChem CID 151342510) has the molecular formula C3H4N2O2 and a molecular weight of 100.08 g/mol. Its IUPAC name is 4-hydroxy-3,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-hydroxy-3,4-dihydropyrazol-5-one
PubChem CID151342510
Molecular FormulaC3H4N2O2
Molecular Weight100.08 g/mol
Exact Mass100.03
IUPAC Name4-hydroxy-3,4-dihydropyrazol-5-one
SMILESO=C1N=NCC1O
InChIInChI=1S/C3H4N2O2/c6-2-1-4-5-3(2)7/h2,6H,1H2
InChIKeyOKTWVKYULKWBMW-UHFFFAOYSA-N
XLogP-0.66
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dihydropyrazol-5-one?
The IUPAC name of 4-hydroxy-3,4-dihydropyrazol-5-one (CID 151342510) is 4-hydroxy-3,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-hydroxy-3,4-dihydropyrazol-5-one?
The canonical SMILES for 4-hydroxy-3,4-dihydropyrazol-5-one is O=C1N=NCC1O.
What is the InChIKey of 4-hydroxy-3,4-dihydropyrazol-5-one?
The InChIKey is OKTWVKYULKWBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2/c6-2-1-4-5-3(2)7/h2,6H,1H2.
What are the key properties of 4-hydroxy-3,4-dihydropyrazol-5-one?
4-hydroxy-3,4-dihydropyrazol-5-one has a molecular weight of 100.08 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dihydropyrazol-5-one is sourced from PubChem (CID 151342510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).