5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide

C18H22N4O2 — CID 69403461

IUPAC5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)(C)c1cc2n(n1)CC(C(N)=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C18H22N4O2/c1-18(2,3)15-9-13-17(24)21(10-12-7-5-4-6-8-12)14(16(19)23)11-22(13)20-15/h4-9,14H,10-11H2,1-3H3,(H2,19,23)
InChIKeyHPSYRGCZXGJAIF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.69
Rot. Bonds3

About 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide

5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 69403461) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID69403461
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)(C)c1cc2n(n1)CC(C(N)=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C18H22N4O2/c1-18(2,3)15-9-13-17(24)21(10-12-7-5-4-6-8-12)14(16(19)23)11-22(13)20-15/h4-9,14H,10-11H2,1-3H3,(H2,19,23)
InChIKeyHPSYRGCZXGJAIF-UHFFFAOYSA-N
XLogP1.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide (CID 69403461) is 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)(C)c1cc2n(n1)CC(C(N)=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is HPSYRGCZXGJAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2,3)15-9-13-17(24)21(10-12-7-5-4-6-8-12)14(16(19)23)11-22(13)20-15/h4-9,14H,10-11H2,1-3H3,(H2,19,23).
What are the key properties of 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide?
5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-tert-butyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 69403461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).