ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate

C19H15FN2O4 — CID 15991391

IUPACethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(=O)c2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H15FN2O4/c1-2-25-19(24)16-12-17(22(21-16)15-9-4-3-5-10-15)26-18(23)13-7-6-8-14(20)11-13/h3-12H,2H2,1H3
InChIKeyMFRWIIIGEWXPOT-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.41
Rot. Bonds5

About ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate

ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate (PubChem CID 15991391) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate
PubChem CID15991391
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Nameethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(=O)c2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H15FN2O4/c1-2-25-19(24)16-12-17(22(21-16)15-9-4-3-5-10-15)26-18(23)13-7-6-8-14(20)11-13/h3-12H,2H2,1H3
InChIKeyMFRWIIIGEWXPOT-UHFFFAOYSA-N
XLogP3.41
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
1-[[2-[(2,4-Difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11406237
5-(4-Ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127047005
ethyl 5-[(2-methoxybenzoyl)oxy]-1-phenyl-1H-pyrazole-3-carboxylate
CID 1256813
ethyl 5-[(3-nitrobenzoyl)oxy]-1-phenyl-1H-pyrazole-3-carboxylate
CID 1258375
Ethyl 5-(4-methoxybenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 15991386
Ethyl 5-[3-(hexylcarbamoyloxy)phenyl]-1-phenylpyrazole-3-carboxylate
CID 118736199
Propyl 5-[3-(hexylcarbamoyloxy)phenyl]-1-phenylpyrazole-3-carboxylate
CID 118736203
Ethyl 5-(4-chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 15991387
5-(4-ethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 2771353
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate (CID 15991391) is ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(OC(=O)c2cccc(F)c2)n(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is MFRWIIIGEWXPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-2-25-19(24)16-12-17(22(21-16)15-9-4-3-5-10-15)26-18(23)13-7-6-8-14(20)11-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 354.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 15991391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).