methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate

C12H12N2O3 — CID 714476

IUPACmethyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate
SMILESCOC(=O)CC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H12N2O3/c1-17-12(16)8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyRJIDGRHOHFDKKB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.34
Rot. Bonds3

About methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate

methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate (PubChem CID 714476) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate
PubChem CID714476
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate
SMILESCOC(=O)CC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H12N2O3/c1-17-12(16)8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyRJIDGRHOHFDKKB-UHFFFAOYSA-N
XLogP1.34
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate (CID 714476) is methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate is COC(=O)CC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate?
The InChIKey is RJIDGRHOHFDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-12(16)8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate?
methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate is sourced from PubChem (CID 714476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).