3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one

C26H34N6O — CID 163301467

IUPAC3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC.CC1CC2CN(Cc3ccccc3)CC12.Cn1cc(-c2cn3nccc3c(=O)[nH]2)cn1
InChIInChI=1S/C14H19N.C10H9N5O.C2H6/c1-11-7-13-9-15(10-14(11)13)8-12-5-3-2-4-6-12;1-14-5-7(4-12-14)8-6-15-9(2-3-11-15)10(16)13-8;1-2/h2-6,11,13-14H,7-10H2,1H3;2-6H,1H3,(H,13,16);1-2H3
InChIKeySVEWPURFLUUQKP-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.22
Rot. Bonds3

About 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one

3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163301467) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163301467
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC.CC1CC2CN(Cc3ccccc3)CC12.Cn1cc(-c2cn3nccc3c(=O)[nH]2)cn1
InChIInChI=1S/C14H19N.C10H9N5O.C2H6/c1-11-7-13-9-15(10-14(11)13)8-12-5-3-2-4-6-12;1-14-5-7(4-12-14)8-6-15-9(2-3-11-15)10(16)13-8;1-2/h2-6,11,13-14H,7-10H2,1H3;2-6H,1H3,(H,13,16);1-2H3
InChIKeySVEWPURFLUUQKP-UHFFFAOYSA-N
XLogP4.22
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

6-(1-methyl-6-oxo-3-pyridinyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163302156
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CID 131670504
5-benzyl-3-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 155891245
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
(3aR,4R,7S,7aS)-2-benzyl-7-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82385393
3-fluoro-6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163301372
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CID 59011511
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136952711

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163301467) is 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one is CC.CC1CC2CN(Cc3ccccc3)CC12.Cn1cc(-c2cn3nccc3c(=O)[nH]2)cn1.
What is the InChIKey of 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SVEWPURFLUUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C10H9N5O.C2H6/c1-11-7-13-9-15(10-14(11)13)8-12-5-3-2-4-6-12;1-14-5-7(4-12-14)8-6-15-9(2-3-11-15)10(16)13-8;1-2/h2-6,11,13-14H,7-10H2,1H3;2-6H,1H3,(H,13,16);1-2H3.
What are the key properties of 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 446.60 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methyl-3-azabicyclo[3.2.0]heptane;ethane;6-(1-methylpyrazol-4-yl)-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163301467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).