1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole

C13H17N3O3S — CID 95770651

IUPAC1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2)o1
InChIInChI=1S/C13H17N3O3S/c1-10-5-6-13(19-10)12-4-3-7-16(12)20(17,18)11-8-14-15(2)9-11/h5-6,8-9,12H,3-4,7H2,1-2H3/t12-/m0/s1
InChIKeyZISCVZAMGWRKCO-LBPRGKRZSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds3

About 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole

1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 95770651) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
PubChem CID95770651
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2)o1
InChIInChI=1S/C13H17N3O3S/c1-10-5-6-13(19-10)12-4-3-7-16(12)20(17,18)11-8-14-15(2)9-11/h5-6,8-9,12H,3-4,7H2,1-2H3/t12-/m0/s1
InChIKeyZISCVZAMGWRKCO-LBPRGKRZSA-N
XLogP1.85
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
CID 95770658
1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 110257208
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
2-(5-methylfuran-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-sulfonamide
CID 71873051
(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 98785030
5-[1-(1-ethylpyrazol-4-yl)sulfonylazepan-2-yl]-3-methyl-1,2-oxazole
CID 110215743

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole (CID 95770651) is 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole is Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2)o1.
What is the InChIKey of 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is ZISCVZAMGWRKCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-5-6-13(19-10)12-4-3-7-16(12)20(17,18)11-8-14-15(2)9-11/h5-6,8-9,12H,3-4,7H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole?
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 295.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 95770651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).