ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate

C20H18N2O3 — CID 50905140

IUPACethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)c2ccccc2)n1
InChIInChI=1S/C20H18N2O3/c1-2-25-20(24)17-13-18(15-9-5-3-6-10-15)22(21-17)14-19(23)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKeyMRSQDUZLFIXVSS-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.61
Rot. Bonds6

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

ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate (PubChem CID 50905140) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate
PubChem CID50905140
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)c2ccccc2)n1
InChIInChI=1S/C20H18N2O3/c1-2-25-20(24)17-13-18(15-9-5-3-6-10-15)22(21-17)14-19(23)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKeyMRSQDUZLFIXVSS-UHFFFAOYSA-N
XLogP3.61
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 50905377
ethyl 1-[(4-fluorophenyl)methyl]-5-phenylpyrazole-3-carboxylate
CID 91872759
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
CID 44819490
CID 44819490
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
CID 44819660
CID 44819660
ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
diethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]pyrazole-3,5-dicarboxylate
CID 75526827
ethyl 1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxylate
CID 101494897
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 46900211

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate (CID 50905140) is ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate?
The InChIKey is MRSQDUZLFIXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-25-20(24)17-13-18(15-9-5-3-6-10-15)22(21-17)14-19(23)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate?
ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 50905140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).