2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone

C13H15N5O — CID 103120918

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnn2ccncc12)N1CC2CNCC2C1
InChIInChI=1S/C13H15N5O/c19-13(17-7-9-3-15-4-10(9)8-17)11-5-16-18-2-1-14-6-12(11)18/h1-2,5-6,9-10,15H,3-4,7-8H2
InChIKeyZMGFBEWXIHBFAD-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.02
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone (PubChem CID 103120918) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
PubChem CID103120918
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnn2ccncc12)N1CC2CNCC2C1
InChIInChI=1S/C13H15N5O/c19-13(17-7-9-3-15-4-10(9)8-17)11-5-16-18-2-1-14-6-12(11)18/h1-2,5-6,9-10,15H,3-4,7-8H2
InChIKeyZMGFBEWXIHBFAD-UHFFFAOYSA-N
XLogP0.02
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone with MolForge

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Related Compounds

pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103121075
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120573
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120659128
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121083
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 136540380
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 167758506

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone (CID 103120918) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone is O=C(c1cnn2ccncc12)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
The InChIKey is ZMGFBEWXIHBFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(17-7-9-3-15-4-10(9)8-17)11-5-16-18-2-1-14-6-12(11)18/h1-2,5-6,9-10,15H,3-4,7-8H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone has a molecular weight of 257.30 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone is sourced from PubChem (CID 103120918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).