[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C22H23N3O4 — CID 8792771

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C22H23N3O4/c1-15-22(16(2)25(24-15)18-9-5-4-6-10-18)23-20(26)14-29-21(27)13-17-8-7-11-19(12-17)28-3/h4-12H,13-14H2,1-3H3,(H,23,26)
InChIKeyGJHKGHSGUSVYTJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.22
Rot. Bonds7

About [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 8792771) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID8792771
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C22H23N3O4/c1-15-22(16(2)25(24-15)18-9-5-4-6-10-18)23-20(26)14-29-21(27)13-17-8-7-11-19(12-17)28-3/h4-12H,13-14H2,1-3H3,(H,23,26)
InChIKeyGJHKGHSGUSVYTJ-UHFFFAOYSA-N
XLogP3.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609729
N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-(2-naphthyloxy)acetamide
CID 1300497
ethyl (4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506934
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6213468
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 16544092
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122041
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 24982767
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
CID 895159
2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino]-2-oxoethyl 4-(4-acetylphenoxy)butanoate
CID 4855698
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8309108
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139544
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 24686288

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 8792771) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is GJHKGHSGUSVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-22(16(2)25(24-15)18-9-5-4-6-10-18)23-20(26)14-29-21(27)13-17-8-7-11-19(12-17)28-3/h4-12H,13-14H2,1-3H3,(H,23,26).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 393.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 8792771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).