ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate

C23H24N4O5 — CID 171383757

IUPACethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C23H24N4O5/c1-4-31-23(30)18-13-24-27(3)21(18)26-22(29)16-9-11-17(12-10-16)25-20(28)14-32-19-8-6-5-7-15(19)2/h5-13H,4,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyTWAQRQDRXCKWPR-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.18
Rot. Bonds8

About ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate (PubChem CID 171383757) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate
PubChem CID171383757
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Nameethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C23H24N4O5/c1-4-31-23(30)18-13-24-27(3)21(18)26-22(29)16-9-11-17(12-10-16)25-20(28)14-32-19-8-6-5-7-15(19)2/h5-13H,4,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyTWAQRQDRXCKWPR-UHFFFAOYSA-N
XLogP3.18
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate (CID 171383757) is ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1.
What is the InChIKey of ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate?
The InChIKey is TWAQRQDRXCKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-4-31-23(30)18-13-24-27(3)21(18)26-22(29)16-9-11-17(12-10-16)25-20(28)14-32-19-8-6-5-7-15(19)2/h5-13H,4,14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[4-[[2-(2-methylphenoxy)acetyl]amino]benzoyl]amino]pyrazole-4-carboxylate is sourced from PubChem (CID 171383757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).