[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

C14H21N3O4S — CID 95848466

IUPAC[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C14H21N3O4S/c1-22(19,20)12-9-15-16-13(12)11-3-2-6-17(11)14(18)10-4-7-21-8-5-10/h9-11H,2-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyFUSBAHUVRMUFGO-LLVKDONJSA-N
MW327.41 g/mol
LogP0.90
Rot. Bonds3

About [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 95848466) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID95848466
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C14H21N3O4S/c1-22(19,20)12-9-15-16-13(12)11-3-2-6-17(11)14(18)10-4-7-21-8-5-10/h9-11H,2-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyFUSBAHUVRMUFGO-LLVKDONJSA-N
XLogP0.90
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 155983170
(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741502
1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110272293
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127247379
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 124991874
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
2-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylsulfonylpiperidine
CID 110106240
2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]acetic acid
CID 124960824
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124999388
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 124988616

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 95848466) is [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1C(=O)C1CCOCC1.
What is the InChIKey of [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is FUSBAHUVRMUFGO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-22(19,20)12-9-15-16-13(12)11-3-2-6-17(11)14(18)10-4-7-21-8-5-10/h9-11H,2-8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95848466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).