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

C14H16N4O3S — CID 110272268

IUPAC[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)12-9-16-17-13(12)11-5-3-7-18(11)14(19)10-4-2-6-15-8-10/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,16,17)
InChIKeyFRBGHWIZIIMCNX-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.19
Rot. Bonds3

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

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110272268) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110272268
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)12-9-16-17-13(12)11-5-3-7-18(11)14(19)10-4-2-6-15-8-10/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,16,17)
InChIKeyFRBGHWIZIIMCNX-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10022354, Example 109
CID 121279589
[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110269307
N-Methyl-3-[1-(pyridine-3-carbonyl)pyrrolidin-2-YL]-2H-pyrazole-4-carboxamide
CID 110272267
3-[1-(Pyridine-2-carbonyl)pyrrolidin-2-YL]-2H-pyrazole-4-carboxamide
CID 110272270
N-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272271
1-[2-(4-Methanesulfonyl-2H-pyrazol-3-YL)piperidin-1-YL]-2-(pyridin-3-YL)ethanone
CID 118740220
5-[2-(4-Methanesulfonyl-2H-pyrazol-3-YL)piperidine-1-carbonyl]-2-methylpyridine
CID 118740339
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(1-methylpyrrole-2-carbonyl)piperidine
CID 118740358
(3-methyl-2-pyridinyl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741500
(3-methyl-2-pyridinyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741501
[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 70780432
N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)nicotinamide
CID 71797377

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 110272268) is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is CS(=O)(=O)c1cn[nH]c1C1CCCN1C(=O)c1cccnc1.
What is the InChIKey of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is FRBGHWIZIIMCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-22(20,21)12-9-16-17-13(12)11-5-3-7-18(11)14(19)10-4-2-6-15-8-10/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,16,17).
What are the key properties of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 320.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110272268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).