[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

C25H25N3O5S — CID 30929726

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESO=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H25N3O5S/c29-24(19-10-12-21(13-11-19)34(31,32)27-14-4-5-15-27)17-33-25(30)23-16-22(18-8-9-18)26-28(23)20-6-2-1-3-7-20/h1-3,6-7,10-13,16,18H,4-5,8-9,14-15,17H2
InChIKeyJRYIBFOOBSKSSP-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.57
Rot. Bonds8

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (PubChem CID 30929726) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
PubChem CID30929726
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESO=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H25N3O5S/c29-24(19-10-12-21(13-11-19)34(31,32)27-14-4-5-15-27)17-33-25(30)23-16-22(18-8-9-18)26-28(23)20-6-2-1-3-7-20/h1-3,6-7,10-13,16,18H,4-5,8-9,14-15,17H2
InChIKeyJRYIBFOOBSKSSP-UHFFFAOYSA-N
XLogP3.57
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-methylpyrrole-2-carboxylate
CID 7554263
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dichlorobenzoate
CID 2640566
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774413
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 55377488
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 55309003
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4856368
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate
CID 30115703
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 3997884
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32933023
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxybenzoate
CID 2645690
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,3-dichlorobenzoate
CID 2645596

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (CID 30929726) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is O=C(COC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The InChIKey is JRYIBFOOBSKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-24(19-10-12-21(13-11-19)34(31,32)27-14-4-5-15-27)17-33-25(30)23-16-22(18-8-9-18)26-28(23)20-6-2-1-3-7-20/h1-3,6-7,10-13,16,18H,4-5,8-9,14-15,17H2.
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate has a molecular weight of 479.56 g/mol, XLogP of 3.57, 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] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 30929726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).