3-hydroxy-2-methyl-1H-pyrazol-5-one

C4H6N2O2 — CID 19703123

IUPAC3-hydroxy-2-methyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1O
InChIInChI=1S/C4H6N2O2/c1-6-4(8)2-3(7)5-6/h2,8H,1H3,(H,5,7)
InChIKeyXEWKOMSWWONEMR-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.58
Rot. Bonds

About 3-hydroxy-2-methyl-1H-pyrazol-5-one

3-hydroxy-2-methyl-1H-pyrazol-5-one (PubChem CID 19703123) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1H-pyrazol-5-one
PubChem CID19703123
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name3-hydroxy-2-methyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1O
InChIInChI=1S/C4H6N2O2/c1-6-4(8)2-3(7)5-6/h2,8H,1H3,(H,5,7)
InChIKeyXEWKOMSWWONEMR-UHFFFAOYSA-N
XLogP-0.58
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1H-pyrazol-5-one?
The IUPAC name of 3-hydroxy-2-methyl-1H-pyrazol-5-one (CID 19703123) is 3-hydroxy-2-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1H-pyrazol-5-one?
The canonical SMILES for 3-hydroxy-2-methyl-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1O.
What is the InChIKey of 3-hydroxy-2-methyl-1H-pyrazol-5-one?
The InChIKey is XEWKOMSWWONEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-6-4(8)2-3(7)5-6/h2,8H,1H3,(H,5,7).
What are the key properties of 3-hydroxy-2-methyl-1H-pyrazol-5-one?
3-hydroxy-2-methyl-1H-pyrazol-5-one has a molecular weight of 114.10 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 19703123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).