1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole

C12H17N5O2S — CID 95824678

IUPAC1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
SMILESCc1cn[nH]c1[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H17N5O2S/c1-9-6-14-15-12(9)10-4-3-5-17(10)20(18,19)11-7-16(2)8-13-11/h6-8,10H,3-5H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyBGLFAFVMABYLAX-JTQLQIEISA-N
MW295.37 g/mol
LogP0.98
Rot. Bonds3

About 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole

1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole (PubChem CID 95824678) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
PubChem CID95824678
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
SMILESCc1cn[nH]c1[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H17N5O2S/c1-9-6-14-15-12(9)10-4-3-5-17(10)20(18,19)11-7-16(2)8-13-11/h6-8,10H,3-5H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyBGLFAFVMABYLAX-JTQLQIEISA-N
XLogP0.98
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.98
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-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one
CID 95824730
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110271079
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194
2-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-3-one
CID 110257196
1-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 71997276
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole?
The IUPAC name of 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole (CID 95824678) is 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole.
What is the SMILES notation for 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole?
The canonical SMILES for 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole is Cc1cn[nH]c1[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole?
The InChIKey is BGLFAFVMABYLAX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9-6-14-15-12(9)10-4-3-5-17(10)20(18,19)11-7-16(2)8-13-11/h6-8,10H,3-5H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole?
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole has a molecular weight of 295.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole is sourced from PubChem (CID 95824678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).