1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone

C22H30N4O — CID 74247199

IUPAC1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C22H30N4O/c1-17-7-6-8-18(2)25(17)16-22(27)24-11-12-26-21(15-24)14-20(23-26)13-19-9-4-3-5-10-19/h3-5,9-10,14,17-18H,6-8,11-13,15-16H2,1-2H3/t17-,18+
InChIKeyPUCXPENJDNLBDS-HDICACEKSA-N
MW366.51 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone

1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 74247199) 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)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID74247199
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)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C22H30N4O/c1-17-7-6-8-18(2)25(17)16-22(27)24-11-12-26-21(15-24)14-20(23-26)13-19-9-4-3-5-10-19/h3-5,9-10,14,17-18H,6-8,11-13,15-16H2,1-2H3/t17-,18+
InChIKeyPUCXPENJDNLBDS-HDICACEKSA-N
XLogP3.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (CID 74247199) is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1.
What is the InChIKey of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is PUCXPENJDNLBDS-HDICACEKSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-7-6-8-18(2)25(17)16-22(27)24-11-12-26-21(15-24)14-20(23-26)13-19-9-4-3-5-10-19/h3-5,9-10,14,17-18H,6-8,11-13,15-16H2,1-2H3/t17-,18+.
What are the key properties of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.08, 4 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)-2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 74247199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).