(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

C13H20N4O2 — CID 145440438

IUPAC(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
SMILESC[C@@H]1N(c2cnn3c2CN[C@@H](C)C3)C(=O)OC1(C)C
InChIInChI=1S/C13H20N4O2/c1-8-7-16-10(5-14-8)11(6-15-16)17-9(2)13(3,4)19-12(17)18/h6,8-9,14H,5,7H2,1-4H3/t8-,9-/m0/s1
InChIKeyKABGBBFMUSCREJ-IUCAKERBSA-N
MW264.33 g/mol
LogP1.50
Rot. Bonds1

About (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

(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 (PubChem CID 145440438) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145440438
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(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
SMILESC[C@@H]1N(c2cnn3c2CN[C@@H](C)C3)C(=O)OC1(C)C
InChIInChI=1S/C13H20N4O2/c1-8-7-16-10(5-14-8)11(6-15-16)17-9(2)13(3,4)19-12(17)18/h6,8-9,14H,5,7H2,1-4H3/t8-,9-/m0/s1
InChIKeyKABGBBFMUSCREJ-IUCAKERBSA-N
XLogP1.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(6S)-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-[(4S)-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145440353
(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
(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
CID 154691076
2-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-1,2-thiazolidine 1,1-dioxide
CID 134182612
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
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-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrazole-4-carbonitrile
CID 122420006
5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one
CID 155434684
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
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1N(c2cnn3c2CN[C@@H](C)C3)C(=O)OC1(C)C.
What is the InChIKey of (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?
The InChIKey is KABGBBFMUSCREJ-IUCAKERBSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-7-16-10(5-14-8)11(6-15-16)17-9(2)13(3,4)19-12(17)18/h6,8-9,14H,5,7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 264.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145440438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).