ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate

C18H15ClN2O3 — CID 134087044

IUPACethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]n(-c2ccccc2Cl)c(=O)c1-c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-15(12-8-4-3-5-9-12)17(22)21(20-16)14-11-7-6-10-13(14)19/h3-11,20H,2H2,1H3
InChIKeyJSFJCVNODDBBPL-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.66
Rot. Bonds4

About ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate

ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 134087044) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate
PubChem CID134087044
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Nameethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]n(-c2ccccc2Cl)c(=O)c1-c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-15(12-8-4-3-5-9-12)17(22)21(20-16)14-11-7-6-10-13(14)19/h3-11,20H,2H2,1H3
InChIKeyJSFJCVNODDBBPL-UHFFFAOYSA-N
XLogP3.66
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-chlorophenyl)-4-methyl-3-oxo-1H-pyrazole-5-carboxylate
CID 102538236
ethyl 2-(2-chlorophenyl)-3-oxo-1H-pyrazole-4-carboxylate
CID 58158628
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
ethyl 6-(2-chlorophenyl)-4-oxo-3-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 17285660
ethyl 3-(4-chlorophenyl)-4-methyl-5-phenyl-1H-pyrrole-2-carboxylate
CID 12910346
ethyl 3-(3-chloro-2-methylphenyl)-4-oxophthalazine-1-carboxylate
CID 3778428
ethyl 3-(2-hydroxyphenyl)-2-oxo-4-phenyl-1H-imidazole-5-carboxylate
CID 143725384
ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
CID 164681090
ethyl 4-[5-(1,3-dioxoinden-2-ylidene)penta-1,3-dienyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazole-5-carboxylate
CID 54679260
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate (CID 134087044) is ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]n(-c2ccccc2Cl)c(=O)c1-c1ccccc1.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate?
The InChIKey is JSFJCVNODDBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-24-18(23)16-15(12-8-4-3-5-9-12)17(22)21(20-16)14-11-7-6-10-13(14)19/h3-11,20H,2H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate?
ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 342.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 134087044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).