5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C12H13BrN4 — CID 178121670

IUPAC5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESBrc1ccc(CN2CCn3nccc3C2)cn1
InChIInChI=1S/C12H13BrN4/c13-12-2-1-10(7-14-12)8-16-5-6-17-11(9-16)3-4-15-17/h1-4,7H,5-6,8-9H2
InChIKeyAKFWJQPQHIIRPL-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.06
Rot. Bonds2

About 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 178121670) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID178121670
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESBrc1ccc(CN2CCn3nccc3C2)cn1
InChIInChI=1S/C12H13BrN4/c13-12-2-1-10(7-14-12)8-16-5-6-17-11(9-16)3-4-15-17/h1-4,7H,5-6,8-9H2
InChIKeyAKFWJQPQHIIRPL-UHFFFAOYSA-N
XLogP2.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 178121670) is 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Brc1ccc(CN2CCn3nccc3C2)cn1.
What is the InChIKey of 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is AKFWJQPQHIIRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-12-2-1-10(7-14-12)8-16-5-6-17-11(9-16)3-4-15-17/h1-4,7H,5-6,8-9H2.
What are the key properties of 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 293.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 178121670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).