3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol

C11H18N4O3S — CID 134182633

IUPAC3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol
SMILESCC1C(O)CS(=O)(=O)N1c1cnn2c1CN[C@@H](C)C2
InChIInChI=1S/C11H18N4O3S/c1-7-5-14-9(3-12-7)10(4-13-14)15-8(2)11(16)6-19(15,17)18/h4,7-8,11-12,16H,3,5-6H2,1-2H3/t7-,8?,11?/m0/s1
InChIKeyGEACVUGRJHKADH-JYPKXMCJSA-N
MW286.36 g/mol
LogP-0.73
Rot. Bonds1

About 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol

3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol (PubChem CID 134182633) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol.

Molecular Properties

Compound Name3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol
PubChem CID134182633
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol
SMILESCC1C(O)CS(=O)(=O)N1c1cnn2c1CN[C@@H](C)C2
InChIInChI=1S/C11H18N4O3S/c1-7-5-14-9(3-12-7)10(4-13-14)15-8(2)11(16)6-19(15,17)18/h4,7-8,11-12,16H,3,5-6H2,1-2H3/t7-,8?,11?/m0/s1
InChIKeyGEACVUGRJHKADH-JYPKXMCJSA-N
XLogP-0.73
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 134182612
(6S)-3-(4-hydroxy-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 134182632
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one
CID 142799181
(4S)-4,5,5-trimethyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazolidin-2-one
CID 145440438
(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
CID 154691076
1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile
CID 122420006
4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
CID 122420091
1-cyclohexyl-3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]urea
CID 134179399
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 171035213
(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-6-yl)methanol
CID 84661188
1-[(6S)-3-(4-hydroxy-1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 159935768

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol?
The IUPAC name of 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol (CID 134182633) is 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol.
What is the SMILES notation for 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol?
The canonical SMILES for 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol is CC1C(O)CS(=O)(=O)N1c1cnn2c1CN[C@@H](C)C2.
What is the InChIKey of 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol?
The InChIKey is GEACVUGRJHKADH-JYPKXMCJSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7-5-14-9(3-12-7)10(4-13-14)15-8(2)11(16)6-19(15,17)18/h4,7-8,11-12,16H,3,5-6H2,1-2H3/t7-,8?,11?/m0/s1.
What are the key properties of 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol?
3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol has a molecular weight of 286.36 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,1-dioxo-1,2-thiazolidin-4-ol is sourced from PubChem (CID 134182633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).