2,5-dimethyl-1-phenylpyrazol-3-one

C11H12N2O — CID 555724

IUPAC2,5-dimethyl-1-phenylpyrazol-3-one
SMILESCc1cc(=O)n(C)n1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9-8-11(14)12(2)13(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXYZAGMNEGKHCLP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.48
Rot. Bonds1

About 2,5-dimethyl-1-phenylpyrazol-3-one

2,5-dimethyl-1-phenylpyrazol-3-one (PubChem CID 555724) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenylpyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-1-phenylpyrazol-3-one
PubChem CID555724
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,5-dimethyl-1-phenylpyrazol-3-one
SMILESCc1cc(=O)n(C)n1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9-8-11(14)12(2)13(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXYZAGMNEGKHCLP-UHFFFAOYSA-N
XLogP1.48
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,2-diphenylpyrazol-3-one
CID 802103
1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
CID 166783776
1-benzyl-2,5-dimethylpyrazol-3-one
CID 68678187
CID 154808105
CID 154808105
1-methyl-2-phenyl-5-(sulfanylmethyl)pyrazol-3-one
CID 121006163
1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione
CID 13027273
5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one
CID 1203370
2-benzyl-1,5-dimethylpyrazol-3-one
CID 12702480
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
5-cyclobutyl-1-methyl-2-phenylpyrazol-3-one
CID 68679673
2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
CID 2394060
4-iodo-1-methyl-2-phenylpyrazol-3-one
CID 134097114

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenylpyrazol-3-one?
The IUPAC name of 2,5-dimethyl-1-phenylpyrazol-3-one (CID 555724) is 2,5-dimethyl-1-phenylpyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-1-phenylpyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-1-phenylpyrazol-3-one is Cc1cc(=O)n(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenylpyrazol-3-one?
The InChIKey is XYZAGMNEGKHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-8-11(14)12(2)13(9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-1-phenylpyrazol-3-one?
2,5-dimethyl-1-phenylpyrazol-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenylpyrazol-3-one is sourced from PubChem (CID 555724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).