(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

C16H24N6O2S — CID 125017693

IUPAC(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C16H24N6O2S/c1-11-16(12(2)20-19-11)15-9-17-14(8-18-15)7-13-5-6-22(10-13)25(23,24)21(3)4/h8-9,13H,5-7,10H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyXJCQJEHBDBRGFU-CYBMUJFWSA-N
MW364.48 g/mol
LogP1.15
Rot. Bonds5

About (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 125017693) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID125017693
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)cn1
InChIInChI=1S/C16H24N6O2S/c1-11-16(12(2)20-19-11)15-9-17-14(8-18-15)7-13-5-6-22(10-13)25(23,24)21(3)4/h8-9,13H,5-7,10H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyXJCQJEHBDBRGFU-CYBMUJFWSA-N
XLogP1.15
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124981650
1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124989609
(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124947593
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125008882
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
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
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659
(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124989412
5-[6-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133790

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 125017693) is (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide is Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)cn1.
What is the InChIKey of (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is XJCQJEHBDBRGFU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-11-16(12(2)20-19-11)15-9-17-14(8-18-15)7-13-5-6-22(10-13)25(23,24)21(3)4/h8-9,13H,5-7,10H2,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide?
(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 125017693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).