[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

C14H16N4O3S — CID 125001889

IUPAC[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)12-8-16-17-13(12)10-5-7-18(9-10)14(19)11-4-2-3-6-15-11/h2-4,6,8,10H,5,7,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeySGLHRYLCDJUDJC-SNVBAGLBSA-N
MW320.37 g/mol
LogP0.84
Rot. Bonds3

About [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 125001889) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID125001889
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)12-8-16-17-13(12)10-5-7-18(9-10)14(19)11-4-2-3-6-15-11/h2-4,6,8,10H,5,7,9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeySGLHRYLCDJUDJC-SNVBAGLBSA-N
XLogP0.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone 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

[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001888
(6-methyl-2-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124972501
(6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124996228
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
(2,4-dimethylpyrimidin-5-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000279
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124945178
(2-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652651
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018
1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578
1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127247209
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 125001889) is [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is SGLHRYLCDJUDJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-22(20,21)12-8-16-17-13(12)10-5-7-18(9-10)14(19)11-4-2-3-6-15-11/h2-4,6,8,10H,5,7,9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 320.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 125001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).