(7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C7H8BrN3O — CID 121293329

IUPAC(7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CNC(=O)c2c(Br)cnn21
InChIInChI=1S/C7H8BrN3O/c1-4-2-9-7(12)6-5(8)3-10-11(4)6/h3-4H,2H2,1H3,(H,9,12)/t4-/m0/s1
InChIKeyCLAGHSKYBZXDEU-BYPYZUCNSA-N
MW230.06 g/mol
LogP0.95
Rot. Bonds

About (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 121293329) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID121293329
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name(7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CNC(=O)c2c(Br)cnn21
InChIInChI=1S/C7H8BrN3O/c1-4-2-9-7(12)6-5(8)3-10-11(4)6/h3-4H,2H2,1H3,(H,9,12)/t4-/m0/s1
InChIKeyCLAGHSKYBZXDEU-BYPYZUCNSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 121293329) is (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CNC(=O)c2c(Br)cnn21.
What is the InChIKey of (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CLAGHSKYBZXDEU-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-4-2-9-7(12)6-5(8)3-10-11(4)6/h3-4H,2H2,1H3,(H,9,12)/t4-/m0/s1.
What are the key properties of (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 230.06 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-bromo-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 121293329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).