ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate

C21H21N3O4 — CID 1225340

IUPACethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COc1ccccc1C
InChIInChI=1S/C21H21N3O4/c1-3-27-21(26)17-13-22-24(16-10-5-4-6-11-16)20(17)23-19(25)14-28-18-12-8-7-9-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyADDFSPWFLBHPJQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.37
Rot. Bonds7

About ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 1225340) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID1225340
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Nameethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COc1ccccc1C
InChIInChI=1S/C21H21N3O4/c1-3-27-21(26)17-13-22-24(16-10-5-4-6-11-16)20(17)23-19(25)14-28-18-12-8-7-9-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,25)
InChIKeyADDFSPWFLBHPJQ-UHFFFAOYSA-N
XLogP3.37
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate (CID 1225340) is ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COc1ccccc1C.
What is the InChIKey of ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is ADDFSPWFLBHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-27-21(26)17-13-22-24(16-10-5-4-6-11-16)20(17)23-19(25)14-28-18-12-8-7-9-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(2-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 1225340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).