7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride

C15H23Cl2N5 — CID 154894543

IUPAC7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride
SMILESCc1cc(N2C[C@H]3CNC[C@H]3C2)n2nc(C)c(C)c2n1.Cl.Cl
InChIInChI=1S/C15H21N5.2ClH/c1-9-4-14(19-7-12-5-16-6-13(12)8-19)20-15(17-9)10(2)11(3)18-20;;/h4,12-13,16H,5-8H2,1-3H3;2*1H/t12-,13+;;
InChIKeyZVEJCNLXXCUEOE-FQDOXHKTSA-N
MW344.29 g/mol
LogP2.15
Rot. Bonds1

About 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride

7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride (PubChem CID 154894543) has the molecular formula C15H23Cl2N5 and a molecular weight of 344.29 g/mol. Its IUPAC name is 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride
PubChem CID154894543
Molecular FormulaC15H23Cl2N5
Molecular Weight344.29 g/mol
Exact Mass343.13
IUPAC Name7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride
SMILESCc1cc(N2C[C@H]3CNC[C@H]3C2)n2nc(C)c(C)c2n1.Cl.Cl
InChIInChI=1S/C15H21N5.2ClH/c1-9-4-14(19-7-12-5-16-6-13(12)8-19)20-15(17-9)10(2)11(3)18-20;;/h4,12-13,16H,5-8H2,1-3H3;2*1H/t12-,13+;;
InChIKeyZVEJCNLXXCUEOE-FQDOXHKTSA-N
XLogP2.15
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride?
The IUPAC name of 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride (CID 154894543) is 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride.
What is the SMILES notation for 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride?
The canonical SMILES for 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride is Cc1cc(N2C[C@H]3CNC[C@H]3C2)n2nc(C)c(C)c2n1.Cl.Cl.
What is the InChIKey of 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride?
The InChIKey is ZVEJCNLXXCUEOE-FQDOXHKTSA-N. The full InChI is InChI=1S/C15H21N5.2ClH/c1-9-4-14(19-7-12-5-16-6-13(12)8-19)20-15(17-9)10(2)11(3)18-20;;/h4,12-13,16H,5-8H2,1-3H3;2*1H/t12-,13+;;.
What are the key properties of 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride?
7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride has a molecular weight of 344.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride is sourced from PubChem (CID 154894543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).