1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one

C22H30N4O — CID 74250388

IUPAC1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one
SMILESCC(CCC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)N1CCCC1
InChIInChI=1S/C22H30N4O/c1-18(24-11-5-6-12-24)9-10-22(27)25-13-14-26-21(17-25)16-20(23-26)15-19-7-3-2-4-8-19/h2-4,7-8,16,18H,5-6,9-15,17H2,1H3
InChIKeySUDNGPNRLXWJDI-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one

1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one (PubChem CID 74250388) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one
PubChem CID74250388
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one
SMILESCC(CCC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)N1CCCC1
InChIInChI=1S/C22H30N4O/c1-18(24-11-5-6-12-24)9-10-22(27)25-13-14-26-21(17-25)16-20(23-26)15-19-7-3-2-4-8-19/h2-4,7-8,16,18H,5-6,9-15,17H2,1H3
InChIKeySUDNGPNRLXWJDI-UHFFFAOYSA-N
XLogP3.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one (CID 74250388) is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one is CC(CCC(=O)N1CCn2nc(Cc3ccccc3)cc2C1)N1CCCC1.
What is the InChIKey of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one?
The InChIKey is SUDNGPNRLXWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18(24-11-5-6-12-24)9-10-22(27)25-13-14-26-21(17-25)16-20(23-26)15-19-7-3-2-4-8-19/h2-4,7-8,16,18H,5-6,9-15,17H2,1H3.
What are the key properties of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one?
1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 74250388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).