2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine

C14H18N4O2S — CID 125001106

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCc1cc(-c2cccc([C@H]3CCCN3S(C)(=O)=O)n2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-10-9-13(17-16-10)11-5-3-6-12(15-11)14-7-4-8-18(14)21(2,19)20/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeySAONQWYMECSDJJ-CQSZACIVSA-N
MW306.39 g/mol
LogP1.88
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine

2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine (PubChem CID 125001106) 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)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
PubChem CID125001106
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCc1cc(-c2cccc([C@H]3CCCN3S(C)(=O)=O)n2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-10-9-13(17-16-10)11-5-3-6-12(15-11)14-7-4-8-18(14)21(2,19)20/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeySAONQWYMECSDJJ-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-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 124959185
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
3-[6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124969408
2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
CID 124978004
2-(3-methylimidazol-4-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyridine
CID 110131868
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-2-ylpyridine
CID 110101884

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine (CID 125001106) is 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine is Cc1cc(-c2cccc([C@H]3CCCN3S(C)(=O)=O)n2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is SAONQWYMECSDJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-9-13(17-16-10)11-5-3-6-12(15-11)14-7-4-8-18(14)21(2,19)20/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
2-(5-methyl-1H-pyrazol-3-yl)-6-[(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)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 125001106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).