5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one

C10H10N2O2 — CID 10198008

IUPAC5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(CO)=NN1c1ccccc1
InChIInChI=1S/C10H10N2O2/c13-7-8-6-10(14)12(11-8)9-4-2-1-3-5-9/h1-5,13H,6-7H2
InChIKeyQIMPUUHZJZDPCA-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.77
Rot. Bonds2

About 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one

5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one (PubChem CID 10198008) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one
PubChem CID10198008
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(CO)=NN1c1ccccc1
InChIInChI=1S/C10H10N2O2/c13-7-8-6-10(14)12(11-8)9-4-2-1-3-5-9/h1-5,13H,6-7H2
InChIKeyQIMPUUHZJZDPCA-UHFFFAOYSA-N
XLogP0.77
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one (CID 10198008) is 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one is O=C1CC(CO)=NN1c1ccccc1.
What is the InChIKey of 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one?
The InChIKey is QIMPUUHZJZDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-7-8-6-10(14)12(11-8)9-4-2-1-3-5-9/h1-5,13H,6-7H2.
What are the key properties of 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one?
5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one has a molecular weight of 190.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 10198008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).