methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate

C19H16N2O3 — CID 146037792

IUPACmethyl 1-phenacyl-3-phenylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nn1CC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-24-19(23)17-12-16(14-8-4-2-5-9-14)20-21(17)13-18(22)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeySRJGLVGTHDLYDZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.22
Rot. Bonds5

About methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate

methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate (PubChem CID 146037792) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenacyl-3-phenylpyrazole-5-carboxylate
PubChem CID146037792
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 1-phenacyl-3-phenylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nn1CC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-24-19(23)17-12-16(14-8-4-2-5-9-14)20-21(17)13-18(22)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeySRJGLVGTHDLYDZ-UHFFFAOYSA-N
XLogP3.22
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 6498679
Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
Mfubinac
CID 58124744
Apinac
CID 129532609
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
CID 2744515
Ethyl 1-(2-cyanoethyl)-3-phenylpyrazole-5-carboxylate
CID 2389332
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate (CID 146037792) is methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate is COC(=O)c1cc(-c2ccccc2)nn1CC(=O)c1ccccc1.
What is the InChIKey of methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate?
The InChIKey is SRJGLVGTHDLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-19(23)17-12-16(14-8-4-2-5-9-14)20-21(17)13-18(22)15-10-6-3-7-11-15/h2-12H,13H2,1H3.
What are the key properties of methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate?
methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenacyl-3-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 146037792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).