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

C14H16N2O3 — CID 2810669

IUPACethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C14H16N2O3/c1-3-19-13(17)9-12-10(2)15-16(14(12)18)11-7-5-4-6-8-11/h4-8,15H,3,9H2,1-2H3
InChIKeyYDZGRIKFHYSUNV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.58
Rot. Bonds4

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

ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate (PubChem CID 2810669) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate
PubChem CID2810669
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C14H16N2O3/c1-3-19-13(17)9-12-10(2)15-16(14(12)18)11-7-5-4-6-8-11/h4-8,15H,3,9H2,1-2H3
InChIKeyYDZGRIKFHYSUNV-UHFFFAOYSA-N
XLogP1.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (5-hydroxy-1-phenyl-1H-pyrazol-3-yl)acetate
CID 715399
5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 687977
4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 2763690
1,2-Dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 604673
methyl 2-[1-(3,5-dichlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetate
CID 1472419
N-Desmethylpropyphenazone
CID 162616
methyl 2-[1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetate
CID 4962312
4-(2-Methoxy-ethyl)-1-phenyl-1H-pyrazol-3-ol
CID 14840400
Ethyl 1,2,3,6-tetrahydro-3,6-dioxo-2-phenyl-4-pyridazineacetate
CID 235412
ethyl 5-methyl-3,6-dioxo-1-phenyl-2H-pyrano[2,3-c]pyrazole-4-carboxylate
CID 702853
(3,6-Dioxo-2-phenyl-1,2,3,6-tetrahydro-4-pyridazinyl)acetic acid
CID 220410
methyl 3-[N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]propanoate
CID 726384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate (CID 2810669) is ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate is CCOC(=O)Cc1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate?
The InChIKey is YDZGRIKFHYSUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-19-13(17)9-12-10(2)15-16(14(12)18)11-7-5-4-6-8-11/h4-8,15H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate?
ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate has a molecular weight of 260.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 2810669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).