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

C20H18N2O5 — CID 15991386

IUPACethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(=O)c2ccc(OC)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18N2O5/c1-3-26-20(24)17-13-18(22(21-17)15-7-5-4-6-8-15)27-19(23)14-9-11-16(25-2)12-10-14/h4-13H,3H2,1-2H3
InChIKeyGNXMTOFIOIWQDV-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.28
Rot. Bonds6

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

ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate (PubChem CID 15991386) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate
PubChem CID15991386
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Nameethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(=O)c2ccc(OC)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18N2O5/c1-3-26-20(24)17-13-18(22(21-17)15-7-5-4-6-8-15)27-19(23)14-9-11-16(25-2)12-10-14/h4-13H,3H2,1-2H3
InChIKeyGNXMTOFIOIWQDV-UHFFFAOYSA-N
XLogP3.28
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate (CID 15991386) is ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(OC(=O)c2ccc(OC)cc2)n(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is GNXMTOFIOIWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-26-20(24)17-13-18(22(21-17)15-7-5-4-6-8-15)27-19(23)14-9-11-16(25-2)12-10-14/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate?
ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxybenzoyl)oxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 15991386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).