2,4-dimethyl-5-phenyl-1H-pyrazol-3-one

C11H12N2O — CID 10899399

IUPAC2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(C)c1=O
InChIInChI=1S/C11H12N2O/c1-8-10(12-13(2)11(8)14)9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKeyUNGLUSZBDNELBI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.69
Rot. Bonds1

About 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one

2,4-dimethyl-5-phenyl-1H-pyrazol-3-one (PubChem CID 10899399) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
PubChem CID10899399
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(C)c1=O
InChIInChI=1S/C11H12N2O/c1-8-10(12-13(2)11(8)14)9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKeyUNGLUSZBDNELBI-UHFFFAOYSA-N
XLogP1.69
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one (CID 10899399) is 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one is Cc1c(-c2ccccc2)[nH]n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one?
The InChIKey is UNGLUSZBDNELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-10(12-13(2)11(8)14)9-6-4-3-5-7-9/h3-7,12H,1-2H3.
What are the key properties of 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one?
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 10899399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).