2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C16H24N6O2S — CID 110101091

IUPAC2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCCn1nccc1-c1cc(C)nc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H24N6O2S/c1-5-21-14(8-9-17-21)13-11-12(2)18-16(19-13)15-7-6-10-22(15)25(23,24)20(3)4/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyZUMDJPAOAQTBLE-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 110101091) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID110101091
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCCn1nccc1-c1cc(C)nc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C16H24N6O2S/c1-5-21-14(8-9-17-21)13-11-12(2)18-16(19-13)15-7-6-10-22(15)25(23,24)20(3)4/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyZUMDJPAOAQTBLE-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125026555
(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948122
N,N-dimethyl-2-[4-methyl-6-(2-propylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 127245981
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
CID 110101083
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002851
4-(2-ethylpyrazol-3-yl)-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 125002852
N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 110100416
(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125014757
(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948683
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110100418
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110101210
N,N-dimethyl-2-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 110101200

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 110101091) is 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is CCn1nccc1-c1cc(C)nc(C2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is ZUMDJPAOAQTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-5-21-14(8-9-17-21)13-11-12(2)18-16(19-13)15-7-6-10-22(15)25(23,24)20(3)4/h8-9,11,15H,5-7,10H2,1-4H3.
What are the key properties of 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110101091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).