potassium 5-methyl-1H-pyrazol-2-id-3-one

C4H5KN2O — CID 59651397

IUPACpotassium 5-methyl-1H-pyrazol-2-id-3-one
SMILESCc1cc(=O)[n-][nH]1.[K+]
InChIInChI=1S/C4H6N2O.K/c1-3-2-4(7)6-5-3;/h2H,1H3,(H2,5,6,7);/q;+1/p-1
InChIKeyXUQGXIFYTQKQNE-UHFFFAOYSA-M
MW136.19 g/mol
LogP-3.36
Rot. Bonds

About potassium 5-methyl-1H-pyrazol-2-id-3-one

potassium 5-methyl-1H-pyrazol-2-id-3-one (PubChem CID 59651397) has the molecular formula C4H5KN2O and a molecular weight of 136.19 g/mol. Its IUPAC name is potassium 5-methyl-1H-pyrazol-2-id-3-one.

Molecular Properties

Compound Namepotassium 5-methyl-1H-pyrazol-2-id-3-one
PubChem CID59651397
Molecular FormulaC4H5KN2O
Molecular Weight136.19 g/mol
Exact Mass136.00
IUPAC Namepotassium 5-methyl-1H-pyrazol-2-id-3-one
SMILESCc1cc(=O)[n-][nH]1.[K+]
InChIInChI=1S/C4H6N2O.K/c1-3-2-4(7)6-5-3;/h2H,1H3,(H2,5,6,7);/q;+1/p-1
InChIKeyXUQGXIFYTQKQNE-UHFFFAOYSA-M
XLogP-3.36
TPSA46.96 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 5-methyl-1H-pyrazol-2-id-3-one?
The IUPAC name of potassium 5-methyl-1H-pyrazol-2-id-3-one (CID 59651397) is potassium 5-methyl-1H-pyrazol-2-id-3-one.
What is the SMILES notation for potassium 5-methyl-1H-pyrazol-2-id-3-one?
The canonical SMILES for potassium 5-methyl-1H-pyrazol-2-id-3-one is Cc1cc(=O)[n-][nH]1.[K+].
What is the InChIKey of potassium 5-methyl-1H-pyrazol-2-id-3-one?
The InChIKey is XUQGXIFYTQKQNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2O.K/c1-3-2-4(7)6-5-3;/h2H,1H3,(H2,5,6,7);/q;+1/p-1.
What are the key properties of potassium 5-methyl-1H-pyrazol-2-id-3-one?
potassium 5-methyl-1H-pyrazol-2-id-3-one has a molecular weight of 136.19 g/mol, XLogP of -3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methyl-1H-pyrazol-2-id-3-one is sourced from PubChem (CID 59651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).