4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole

C13H21N3O3S — CID 124991874

IUPAC4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C13H21N3O3S/c1-20(17,18)12-8-14-15-13(12)10-2-5-16(9-10)11-3-6-19-7-4-11/h8,10-11H,2-7,9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyPMFRMOOYDDLLPL-SNVBAGLBSA-N
MW299.40 g/mol
LogP0.78
Rot. Bonds3

About 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole

4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 124991874) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
PubChem CID124991874
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C13H21N3O3S/c1-20(17,18)12-8-14-15-13(12)10-2-5-16(9-10)11-3-6-19-7-4-11/h8,10-11H,2-7,9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyPMFRMOOYDDLLPL-SNVBAGLBSA-N
XLogP0.78
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
CID 124950620
1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
4-methylsulfonyl-5-[(3S)-1-pentan-3-ylpyrrolidin-3-yl]-1H-pyrazole
CID 125006037
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
1,4-dimethyl-5-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124981858
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole (CID 124991874) is 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C2CCOCC2)C1.
What is the InChIKey of 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is PMFRMOOYDDLLPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-20(17,18)12-8-14-15-13(12)10-2-5-16(9-10)11-3-6-19-7-4-11/h8,10-11H,2-7,9H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole?
4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 299.40 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 124991874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).