ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate

C22H24N4O4 — CID 56578955

IUPACethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CN(C)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H24N4O4/c1-4-29-22(28)17-14-23-26(3)21(17)24-20(27)15-25(2)18-12-8-9-13-19(18)30-16-10-6-5-7-11-16/h5-14H,4,15H2,1-3H3,(H,24,27)
InChIKeyFZJPHMMFMMISJY-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.46
Rot. Bonds8

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

ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate (PubChem CID 56578955) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate
PubChem CID56578955
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Nameethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CN(C)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H24N4O4/c1-4-29-22(28)17-14-23-26(3)21(17)24-20(27)15-25(2)18-12-8-9-13-19(18)30-16-10-6-5-7-11-16/h5-14H,4,15H2,1-3H3,(H,24,27)
InChIKeyFZJPHMMFMMISJY-UHFFFAOYSA-N
XLogP3.46
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 1-methyl-5-[[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetyl]amino]pyrazole-4-carboxylate
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ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 5-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-1-methylpyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate (CID 56578955) is ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)CN(C)c1ccccc1Oc1ccccc1.
What is the InChIKey of ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate?
The InChIKey is FZJPHMMFMMISJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-29-22(28)17-14-23-26(3)21(17)24-20(27)15-25(2)18-12-8-9-13-19(18)30-16-10-6-5-7-11-16/h5-14H,4,15H2,1-3H3,(H,24,27).
What are the key properties of ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate is sourced from PubChem (CID 56578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).