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

C14H17N3 — CID 162422052

IUPAC5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nccc2CN1Cc1ccccc1
InChIInChI=1S/C14H17N3/c1-12-9-17-14(7-8-15-17)11-16(12)10-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeySUVJFGQTOGCPBB-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.29
Rot. Bonds2

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

5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 162422052) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID162422052
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nccc2CN1Cc1ccccc1
InChIInChI=1S/C14H17N3/c1-12-9-17-14(7-8-15-17)11-16(12)10-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeySUVJFGQTOGCPBB-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 162422052) is 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC1Cn2nccc2CN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is SUVJFGQTOGCPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12-9-17-14(7-8-15-17)11-16(12)10-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3.
What are the key properties of 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 227.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 162422052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).