ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate

C19H15ClN2O4 — CID 15991387

IUPACethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H15ClN2O4/c1-2-25-19(24)16-12-17(22(21-16)15-6-4-3-5-7-15)26-18(23)13-8-10-14(20)11-9-13/h3-12H,2H2,1H3
InChIKeyUIZUDAAQPXKRAS-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.92
Rot. Bonds5

About ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate

ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate (PubChem CID 15991387) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate
PubChem CID15991387
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Nameethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H15ClN2O4/c1-2-25-19(24)16-12-17(22(21-16)15-6-4-3-5-7-15)26-18(23)13-8-10-14(20)11-9-13/h3-12H,2H2,1H3
InChIKeyUIZUDAAQPXKRAS-UHFFFAOYSA-N
XLogP3.92
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
1-[[2-[(2,4-Dichlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11257814
Pyraoxystrobin
CID 45380417
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
Sodium 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
CID 44454965
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265
Ethyl 3-(4-chlorophenyl)-1-(2-hydroxy-3-phenoxypropyl)pyrazole-5-carboxylate
CID 24767141
Ethyl1-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-(4-chlorophenyl)-1h-pyrazole-5-carboxylate
CID 44420145
[2-(4-Fluorophenyl)-5-methylpyrazol-3-yl] 2-(1-acetyloxypentyl)benzoate
CID 122186519
S-Fmpb
CID 164946918

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate (CID 15991387) is ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is UIZUDAAQPXKRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-2-25-19(24)16-12-17(22(21-16)15-6-4-3-5-7-15)26-18(23)13-8-10-14(20)11-9-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorobenzoyl)oxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 15991387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).