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

C13H17N5O2S — CID 124978004

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
SMILESCc1cc(-c2nccnc2[C@H]2CCCN2S(C)(=O)=O)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-9-8-10(17-16-9)12-13(15-6-5-14-12)11-4-3-7-18(11)21(2,19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLQSBHDMHVMZSIC-LLVKDONJSA-N
MW307.38 g/mol
LogP1.27
Rot. Bonds3

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

2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine (PubChem CID 124978004) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
PubChem CID124978004
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
SMILESCc1cc(-c2nccnc2[C@H]2CCCN2S(C)(=O)=O)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-9-8-10(17-16-9)12-13(15-6-5-14-12)11-4-3-7-18(11)21(2,19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLQSBHDMHVMZSIC-LLVKDONJSA-N
XLogP1.27
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101703
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-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
N-methyl-3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-amine
CID 110269291
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
CID 127245150
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
2-(1-methylsulfonylpyrrolidin-2-yl)-5-(1H-pyrazol-5-yl)pyrazine
CID 175658463
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine (CID 124978004) is 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine is Cc1cc(-c2nccnc2[C@H]2CCCN2S(C)(=O)=O)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine?
The InChIKey is LQSBHDMHVMZSIC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9-8-10(17-16-9)12-13(15-6-5-14-12)11-4-3-7-18(11)21(2,19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine?
2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine has a molecular weight of 307.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 124978004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).