methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate

C25H20N2O3 — CID 132969501

IUPACmethyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n(C(C(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H20N2O3/c1-30-25(29)21-17-22(18-11-5-2-6-12-18)27(26-21)23(19-13-7-3-8-14-19)24(28)20-15-9-4-10-16-20/h2-17,23H,1H3
InChIKeyDXQYCDQIXUITMD-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.81
Rot. Bonds6

About methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate

methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate (PubChem CID 132969501) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate
PubChem CID132969501
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Namemethyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n(C(C(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H20N2O3/c1-30-25(29)21-17-22(18-11-5-2-6-12-18)27(26-21)23(19-13-7-3-8-14-19)24(28)20-15-9-4-10-16-20/h2-17,23H,1H3
InChIKeyDXQYCDQIXUITMD-UHFFFAOYSA-N
XLogP4.81
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-3-(4'-ethoxycarbonylphenyl)indazole
CID 10132921
Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
Mfubinac
CID 58124744
Apinac
CID 129532609
Ethyl 1-(2-cyanoethyl)-3-phenylpyrazole-5-carboxylate
CID 2389332
4-Benzoyl-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
CID 706767
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
CID 660944
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
Ethyl 4-(1-ethylindazol-3-yl)benzoate
CID 44451602
dimethyl 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylate
CID 796636

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate?
The IUPAC name of methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate (CID 132969501) is methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate is COC(=O)c1cc(-c2ccccc2)n(C(C(=O)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate?
The InChIKey is DXQYCDQIXUITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-30-25(29)21-17-22(18-11-5-2-6-12-18)27(26-21)23(19-13-7-3-8-14-19)24(28)20-15-9-4-10-16-20/h2-17,23H,1H3.
What are the key properties of methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate?
methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxo-1,2-diphenylethyl)-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 132969501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).