4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole

C19H27N3O4S — CID 51598555

IUPAC4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cn(C(C)C)nc2C)c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)21-12-19(14(3)20-21)27(23,24)22-10-6-7-17(22)16-11-15(25-4)8-9-18(16)26-5/h8-9,11-13,17H,6-7,10H2,1-5H3/t17-/m1/s1
InChIKeyVIMBYRHJCVQNLA-QGZVFWFLSA-N
MW393.51 g/mol
LogP3.32
Rot. Bonds6

About 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole

4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole (PubChem CID 51598555) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole
PubChem CID51598555
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cn(C(C)C)nc2C)c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)21-12-19(14(3)20-21)27(23,24)22-10-6-7-17(22)16-11-15(25-4)8-9-18(16)26-5/h8-9,11-13,17H,6-7,10H2,1-5H3/t17-/m1/s1
InChIKeyVIMBYRHJCVQNLA-QGZVFWFLSA-N
XLogP3.32
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17491177
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17486260
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
(2S)-2-(2,5-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidine
CID 9190240
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 46823397
5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 9190196

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole (CID 51598555) is 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole is COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cn(C(C)C)nc2C)c1.
What is the InChIKey of 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole?
The InChIKey is VIMBYRHJCVQNLA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)21-12-19(14(3)20-21)27(23,24)22-10-6-7-17(22)16-11-15(25-4)8-9-18(16)26-5/h8-9,11-13,17H,6-7,10H2,1-5H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole?
4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole has a molecular weight of 393.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 51598555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).