1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole

C13H19N5O2S — CID 124961579

IUPAC1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH]1
InChIInChI=1S/C13H19N5O2S/c1-9-7-14-13(15-9)11-5-4-6-18(11)21(19,20)12-8-17(3)16-10(12)2/h7-8,11H,4-6H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyHCPJSSHDOIULTA-NSHDSACASA-N
MW309.40 g/mol
LogP1.29
Rot. Bonds3

About 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole

1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 124961579) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
PubChem CID124961579
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH]1
InChIInChI=1S/C13H19N5O2S/c1-9-7-14-13(15-9)11-5-4-6-18(11)21(19,20)12-8-17(3)16-10(12)2/h7-8,11H,4-6H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyHCPJSSHDOIULTA-NSHDSACASA-N
XLogP1.29
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110271079
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104553
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
CID 110104284
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
5-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 126803186
(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
CID 98337206
5-[(2-chlorophenyl)methyl]-2-[(2S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124998057
5-[(3-chlorophenyl)methyl]-2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 124995262
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 124997319

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole (CID 124961579) is 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole is Cc1cnc([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)[nH]1.
What is the InChIKey of 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is HCPJSSHDOIULTA-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-7-14-13(15-9)11-5-4-6-18(11)21(19,20)12-8-17(3)16-10(12)2/h7-8,11H,4-6H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 309.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 124961579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).