(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C15H19N5O — CID 103121075

IUPAC(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESNC1CCCC2CN(C(=O)c3cnn4ccncc34)CC12
InChIInChI=1S/C15H19N5O/c16-13-3-1-2-10-8-19(9-12(10)13)15(21)11-6-18-20-5-4-17-7-14(11)20/h4-7,10,12-13H,1-3,8-9,16H2
InChIKeyUGXKCRXVUBPZEQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.93
Rot. Bonds1

About (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103121075) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103121075
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESNC1CCCC2CN(C(=O)c3cnn4ccncc34)CC12
InChIInChI=1S/C15H19N5O/c16-13-3-1-2-10-8-19(9-12(10)13)15(21)11-6-18-20-5-4-17-7-14(11)20/h4-7,10,12-13H,1-3,8-9,16H2
InChIKeyUGXKCRXVUBPZEQ-UHFFFAOYSA-N
XLogP0.93
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
N-[(1R,2R)-2-aminocyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121138
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120915
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 136540380
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-methylfuran-3-yl)methanone
CID 113412127
[(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 (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103121075) is (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is NC1CCCC2CN(C(=O)c3cnn4ccncc34)CC12.
What is the InChIKey of (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is UGXKCRXVUBPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-13-3-1-2-10-8-19(9-12(10)13)15(21)11-6-18-20-5-4-17-7-14(11)20/h4-7,10,12-13H,1-3,8-9,16H2.
What are the key properties of (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103121075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).