2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine

C14H18N4O2S — CID 124959185

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCc1cc(-c2cc([C@H]3CCCN3S(C)(=O)=O)ccn2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)21(2,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyGLNFUYYOLBHIPM-CQSZACIVSA-N
MW306.39 g/mol
LogP1.88
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine

2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine (PubChem CID 124959185) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
PubChem CID124959185
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCc1cc(-c2cc([C@H]3CCCN3S(C)(=O)=O)ccn2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)21(2,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyGLNFUYYOLBHIPM-CQSZACIVSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110102004
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine
CID 110101996
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
1-[2-[2-(5-methyl-1H-pyrazol-3-yl)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110102001
2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
CID 124978004
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
CID 124997758
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 124956755
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
CID 175658463

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine (CID 124959185) is 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine is Cc1cc(-c2cc([C@H]3CCCN3S(C)(=O)=O)ccn2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is GLNFUYYOLBHIPM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-8-13(17-16-10)12-9-11(5-6-15-12)14-4-3-7-18(14)21(2,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 124959185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).