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

C24H25N3O5 — CID 6622727

IUPACethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O5/c1-4-31-24(30)20-15-25-27(13-14-32-23(29)19-11-7-17(3)8-12-19)21(20)26-22(28)18-9-5-16(2)6-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyQCIUUKXWUPSDBI-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.79
Rot. Bonds8

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

ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate (PubChem CID 6622727) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate
PubChem CID6622727
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Nameethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O5/c1-4-31-24(30)20-15-25-27(13-14-32-23(29)19-11-7-17(3)8-12-19)21(20)26-22(28)18-9-5-16(2)6-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,26,28)
InChIKeyQCIUUKXWUPSDBI-UHFFFAOYSA-N
XLogP3.79
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate (CID 6622727) is ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCOC(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate?
The InChIKey is QCIUUKXWUPSDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-4-31-24(30)20-15-25-27(13-14-32-23(29)19-11-7-17(3)8-12-19)21(20)26-22(28)18-9-5-16(2)6-10-18/h5-12,15H,4,13-14H2,1-3H3,(H,26,28).
What are the key properties of ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate?
ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylbenzoyl)amino]-1-[2-(4-methylbenzoyl)oxyethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 6622727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).