[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

C21H20N4O4 — CID 32934582

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H20N4O4/c1-22-21(28)16-7-9-17(10-8-16)24-19(26)14-29-20(27)11-15-12-23-25(13-15)18-5-3-2-4-6-18/h2-10,12-13H,11,14H2,1H3,(H,22,28)(H,24,26)
InChIKeyYUCLJTDIFZJJSZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.96
Rot. Bonds7

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32934582) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32934582
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H20N4O4/c1-22-21(28)16-7-9-17(10-8-16)24-19(26)14-29-20(27)11-15-12-23-25(13-15)18-5-3-2-4-6-18/h2-10,12-13H,11,14H2,1H3,(H,22,28)(H,24,26)
InChIKeyYUCLJTDIFZJJSZ-UHFFFAOYSA-N
XLogP1.96
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022186
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 38744068
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
ethyl 4-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]butanoate
CID 31022629
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46535527
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32932137
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934667
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985766

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (CID 32934582) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is CNC(=O)c1ccc(NC(=O)COC(=O)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is YUCLJTDIFZJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-22-21(28)16-7-9-17(10-8-16)24-19(26)14-29-20(27)11-15-12-23-25(13-15)18-5-3-2-4-6-18/h2-10,12-13H,11,14H2,1H3,(H,22,28)(H,24,26).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 392.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32934582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).