1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole

C16H17F2N3O2S — CID 141369872

IUPAC1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
SMILESO=S(=O)(C1CC1)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C16H17F2N3O2S/c17-11-3-6-14(18)13(10-11)15-2-1-9-20(15)16-7-8-19-21(16)24(22,23)12-4-5-12/h3,6-8,10,12,15H,1-2,4-5,9H2/t15-/m1/s1
InChIKeyLUPNCJHPDXPSDK-OAHLLOKOSA-N
MW353.39 g/mol
LogP2.84
Rot. Bonds4

About 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole

1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole (PubChem CID 141369872) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
PubChem CID141369872
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
SMILESO=S(=O)(C1CC1)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C16H17F2N3O2S/c17-11-3-6-14(18)13(10-11)15-2-1-9-20(15)16-7-8-19-21(16)24(22,23)12-4-5-12/h3,6-8,10,12,15H,1-2,4-5,9H2/t15-/m1/s1
InChIKeyLUPNCJHPDXPSDK-OAHLLOKOSA-N
XLogP2.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
CID 122516474
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
CID 123702425
1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
CID 141292506
4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 175200240
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
8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 146611650
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 121395110
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 175129299
2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-nitro-1H-pyrrole
CID 174941019
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole?
The IUPAC name of 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole (CID 141369872) is 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole.
What is the SMILES notation for 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole?
The canonical SMILES for 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole is O=S(=O)(C1CC1)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole?
The InChIKey is LUPNCJHPDXPSDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-11-3-6-14(18)13(10-11)15-2-1-9-20(15)16-7-8-19-21(16)24(22,23)12-4-5-12/h3,6-8,10,12,15H,1-2,4-5,9H2/t15-/m1/s1.
What are the key properties of 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole?
1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole has a molecular weight of 353.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole is sourced from PubChem (CID 141369872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).