5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole

C20H19F2N3O2S — CID 122516474

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
SMILESCc1ccccc1S(=O)(=O)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C20H19F2N3O2S/c1-14-5-2-3-7-19(14)28(26,27)25-20(10-11-23-25)24-12-4-6-18(24)16-13-15(21)8-9-17(16)22/h2-3,5,7-11,13,18H,4,6,12H2,1H3/t18-/m1/s1
InChIKeyKFRIEXONVGSKDD-GOSISDBHSA-N
MW403.45 g/mol
LogP4.05
Rot. Bonds4

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole (PubChem CID 122516474) has the molecular formula C20H19F2N3O2S and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
PubChem CID122516474
Molecular FormulaC20H19F2N3O2S
Molecular Weight403.45 g/mol
Exact Mass403.12
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
SMILESCc1ccccc1S(=O)(=O)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C20H19F2N3O2S/c1-14-5-2-3-7-19(14)28(26,27)25-20(10-11-23-25)24-12-4-6-18(24)16-13-15(21)8-9-17(16)22/h2-3,5,7-11,13,18H,4,6,12H2,1H3/t18-/m1/s1
InChIKeyKFRIEXONVGSKDD-GOSISDBHSA-N
XLogP4.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
CID 141369872
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
CID 123702425
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 175200240
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
CID 141292506
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 67330537
ethyl 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,5-dimethylimidazole-4-carboxylate
CID 167969435
8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 146611650
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide
CID 118104850

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole (CID 122516474) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole is Cc1ccccc1S(=O)(=O)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole?
The InChIKey is KFRIEXONVGSKDD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19F2N3O2S/c1-14-5-2-3-7-19(14)28(26,27)25-20(10-11-23-25)24-12-4-6-18(24)16-13-15(21)8-9-17(16)22/h2-3,5,7-11,13,18H,4,6,12H2,1H3/t18-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole has a molecular weight of 403.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 122516474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).