5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C14H17N3 — CID 137452745

IUPAC5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C14H17N3/c1-12-9-14-11-16(7-8-17(14)15-12)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3
InChIKeyBXHXUHPLAZUMNP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.21
Rot. Bonds2

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

5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 137452745) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID137452745
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C14H17N3/c1-12-9-14-11-16(7-8-17(14)15-12)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3
InChIKeyBXHXUHPLAZUMNP-UHFFFAOYSA-N
XLogP2.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 137452745) is 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1cc2n(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is BXHXUHPLAZUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12-9-14-11-16(7-8-17(14)15-12)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 227.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 137452745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).