5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

C13H17N3O3S — CID 95770643

IUPAC5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2C)o1
InChIInChI=1S/C13H17N3O3S/c1-9-5-6-12(19-9)11-4-3-7-16(11)20(17,18)13-8-14-15-10(13)2/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyRQRZHHBBKLUVPB-NSHDSACASA-N
MW295.36 g/mol
LogP2.15
Rot. Bonds3

About 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (PubChem CID 95770643) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
PubChem CID95770643
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2C)o1
InChIInChI=1S/C13H17N3O3S/c1-9-5-6-12(19-9)11-4-3-7-16(11)20(17,18)13-8-14-15-10(13)2/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyRQRZHHBBKLUVPB-NSHDSACASA-N
XLogP2.15
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 55039995
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 63932853
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60958991
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
N-[[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 60958528
(2R)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-2-(5-methylfuran-2-yl)pyrrolidine
CID 95770658
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 54877045
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
CID 79559692

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The IUPAC name of 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (CID 95770643) is 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The canonical SMILES for 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2C)o1.
What is the InChIKey of 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The InChIKey is RQRZHHBBKLUVPB-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-5-6-12(19-9)11-4-3-7-16(11)20(17,18)13-8-14-15-10(13)2/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole has a molecular weight of 295.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 95770643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).