5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole

C11H19N3O2S — CID 124822700

IUPAC5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCC[C@@H](C)S(=O)(=O)N1CC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C11H19N3O2S/c1-3-9(2)17(15,16)14-7-5-10(8-14)11-4-6-12-13-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyWJBPJOFYKPGFCJ-NXEZZACHSA-N
MW257.36 g/mol
LogP1.33
Rot. Bonds4

About 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole

5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 124822700) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID124822700
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCC[C@@H](C)S(=O)(=O)N1CC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C11H19N3O2S/c1-3-9(2)17(15,16)14-7-5-10(8-14)11-4-6-12-13-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyWJBPJOFYKPGFCJ-NXEZZACHSA-N
XLogP1.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003
1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine
CID 99813854
5-[1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270616
(3S)-1-butan-2-ylsulfonylpyrrolidin-3-ol
CID 130618905
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
CID 45212473
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
CID 110270790
2-(aminomethyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 65227203
5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
CID 110250144
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 131909529
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole (CID 124822700) is 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole is CC[C@@H](C)S(=O)(=O)N1CC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is WJBPJOFYKPGFCJ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-9(2)17(15,16)14-7-5-10(8-14)11-4-6-12-13-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole?
5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 257.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(2R)-butan-2-yl]sulfonylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 124822700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).