(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide

C15H22N6O2S — CID 124959917

IUPAC(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCc1cc(-c2cncc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)n[nH]1
InChIInChI=1S/C15H22N6O2S/c1-11-6-14(19-18-11)15-9-16-8-13(17-15)7-12-4-5-21(10-12)24(22,23)20(2)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyGQTMBJSADXSPHT-GFCCVEGCSA-N
MW350.45 g/mol
LogP0.85
Rot. Bonds5

About (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide

(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 124959917) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID124959917
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCc1cc(-c2cncc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)n[nH]1
InChIInChI=1S/C15H22N6O2S/c1-11-6-14(19-18-11)15-9-16-8-13(17-15)7-12-4-5-21(10-12)24(22,23)20(2)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyGQTMBJSADXSPHT-GFCCVEGCSA-N
XLogP0.85
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583
(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125017693
4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 175661913
5-[6-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133790
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 175652292
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124972197
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125008882

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 124959917) is (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide is Cc1cc(-c2cncc(C[C@H]3CCN(S(=O)(=O)N(C)C)C3)n2)n[nH]1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is GQTMBJSADXSPHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-11-6-14(19-18-11)15-9-16-8-13(17-15)7-12-4-5-21(10-12)24(22,23)20(2)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 124959917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).