5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

C13H16N4 — CID 126970853

IUPAC5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
SMILESNc1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C13H16N4/c14-13-8-12-10-16(6-7-17(12)15-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H2,14,15)
InChIKeyJNCRDCCWEWLFSB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.48
Rot. Bonds2

About 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine

5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (PubChem CID 126970853) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
PubChem CID126970853
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
SMILESNc1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C13H16N4/c14-13-8-12-10-16(6-7-17(12)15-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H2,14,15)
InChIKeyJNCRDCCWEWLFSB-UHFFFAOYSA-N
XLogP1.48
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine (CID 126970853) is 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is Nc1cc2n(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
The InChIKey is JNCRDCCWEWLFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13-8-12-10-16(6-7-17(12)15-13)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H2,14,15).
What are the key properties of 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine?
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 126970853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).