[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate

C23H23N3O5S — CID 32933023

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESO=C(Cc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H23N3O5S/c27-22(19-8-10-21(11-9-19)32(29,30)25-12-4-5-13-25)17-31-23(28)14-18-15-24-26(16-18)20-6-2-1-3-7-20/h1-3,6-11,15-16H,4-5,12-14,17H2
InChIKeyCPZZOKJVVFOBFN-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.63
Rot. Bonds8

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32933023) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32933023
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESO=C(Cc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H23N3O5S/c27-22(19-8-10-21(11-9-19)32(29,30)25-12-4-5-13-25)17-31-23(28)14-18-15-24-26(16-18)20-6-2-1-3-7-20/h1-3,6-11,15-16H,4-5,12-14,17H2
InChIKeyCPZZOKJVVFOBFN-UHFFFAOYSA-N
XLogP2.63
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-phenylpyrazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27294254
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 55377488
1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17482582
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2R)-2-phenoxypropanoate
CID 8790952
phenacyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 2078749
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022260
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 30929726
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495394
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 16614724
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031347
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate (CID 32933023) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate is O=C(Cc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is CPZZOKJVVFOBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c27-22(19-8-10-21(11-9-19)32(29,30)25-12-4-5-13-25)17-31-23(28)14-18-15-24-26(16-18)20-6-2-1-3-7-20/h1-3,6-11,15-16H,4-5,12-14,17H2.
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 453.52 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32933023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).