ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate

C24H25N3O7 — CID 12005146

IUPACethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)c2ccc(OC)cc2)c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H25N3O7/c1-4-33-24(30)20-15-25-27(13-14-34-23(29)17-7-11-19(32-3)12-8-17)21(20)26-22(28)16-5-9-18(31-2)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyCDPYZJXVCUKBGY-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.19
Rot. Bonds10

About ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate

ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate (PubChem CID 12005146) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate
PubChem CID12005146
Molecular FormulaC24H25N3O7
Molecular Weight467.48 g/mol
Exact Mass467.17
IUPAC Nameethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)c2ccc(OC)cc2)c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H25N3O7/c1-4-33-24(30)20-15-25-27(13-14-34-23(29)17-7-11-19(32-3)12-8-17)21(20)26-22(28)16-5-9-18(31-2)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyCDPYZJXVCUKBGY-UHFFFAOYSA-N
XLogP3.19
TPSA117.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate (CID 12005146) is ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCOC(=O)c2ccc(OC)cc2)c1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate?
The InChIKey is CDPYZJXVCUKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-4-33-24(30)20-15-25-27(13-14-34-23(29)17-7-11-19(32-3)12-8-17)21(20)26-22(28)16-5-9-18(31-2)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,26,28).
What are the key properties of ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate?
ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate has a molecular weight of 467.48 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methoxybenzoyl)amino]-1-[2-(4-methoxybenzoyl)oxyethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 12005146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).