4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one

C11H12N2O2 — CID 169441545

IUPAC4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one
SMILES[2H]C([2H])([2H])n1c(C)c(O)c(=O)n1-c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3/i2D3
InChIKeySKVPTPMWXJSBTF-BMSJAHLVSA-N
MW207.25 g/mol
LogP1.19
Rot. Bonds2

About 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one

4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one (PubChem CID 169441545) has the molecular formula C11H12N2O2 and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one
PubChem CID169441545
Molecular FormulaC11H12N2O2
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one
SMILES[2H]C([2H])([2H])n1c(C)c(O)c(=O)n1-c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3/i2D3
InChIKeySKVPTPMWXJSBTF-BMSJAHLVSA-N
XLogP1.19
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58969767
4-(4-chlorobenzoyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 12933291
CID 175754430
CID 175754430
1,5-dimethyl-2-phenyl-4-(2,2,2-trichloro-1-hydroxyethyl)pyrazol-3-one
CID 4227069
1,5-dimethyl-2-phenyl-4-(2,2,2-trifluoroacetyl)pyrazol-3-one
CID 174506740
2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
phenyl 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylate
CID 134119473
4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 11023207
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-phenylmethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride
CID 90486595
2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
CID 2394060

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one?
The IUPAC name of 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one (CID 169441545) is 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one is [2H]C([2H])([2H])n1c(C)c(O)c(=O)n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one?
The InChIKey is SKVPTPMWXJSBTF-BMSJAHLVSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3/i2D3.
What are the key properties of 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one?
4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one has a molecular weight of 207.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-phenyl-1-(trideuteriomethyl)pyrazol-3-one is sourced from PubChem (CID 169441545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).