(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one

C14H17N3O2S — CID 99631110

IUPAC(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one
SMILESCc1cc(N2CC[C@@H](Sc3ccoc3C)C2=O)n(C)n1
InChIInChI=1S/C14H17N3O2S/c1-9-8-13(16(3)15-9)17-6-4-12(14(17)18)20-11-5-7-19-10(11)2/h5,7-8,12H,4,6H2,1-3H3/t12-/m1/s1
InChIKeyIHROOBNAOZXLFN-GFCCVEGCSA-N
MW291.38 g/mol
LogP2.53
Rot. Bonds3

About (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one

(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one (PubChem CID 99631110) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one
PubChem CID99631110
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one
SMILESCc1cc(N2CC[C@@H](Sc3ccoc3C)C2=O)n(C)n1
InChIInChI=1S/C14H17N3O2S/c1-9-8-13(16(3)15-9)17-6-4-12(14(17)18)20-11-5-7-19-10(11)2/h5,7-8,12H,4,6H2,1-3H3/t12-/m1/s1
InChIKeyIHROOBNAOZXLFN-GFCCVEGCSA-N
XLogP2.53
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one?
The IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one (CID 99631110) is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one is Cc1cc(N2CC[C@@H](Sc3ccoc3C)C2=O)n(C)n1.
What is the InChIKey of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one?
The InChIKey is IHROOBNAOZXLFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-8-13(16(3)15-9)17-6-4-12(14(17)18)20-11-5-7-19-10(11)2/h5,7-8,12H,4,6H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one?
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one has a molecular weight of 291.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-(2-methylfuran-3-yl)sulfanylpyrrolidin-2-one is sourced from PubChem (CID 99631110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).