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

C23H32N4O — CID 74230900

IUPAC1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1
InChIInChI=1S/C23H32N4O/c1-18(2)25-10-8-20(9-11-25)15-23(28)26-12-13-27-22(17-26)16-21(24-27)14-19-6-4-3-5-7-19/h3-7,16,18,20H,8-15,17H2,1-2H3
InChIKeyXRDJQJNUJDAIGG-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.33
Rot. Bonds5

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

1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 74230900) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID74230900
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1
InChIInChI=1S/C23H32N4O/c1-18(2)25-10-8-20(9-11-25)15-23(28)26-12-13-27-22(17-26)16-21(24-27)14-19-6-4-3-5-7-19/h3-7,16,18,20H,8-15,17H2,1-2H3
InChIKeyXRDJQJNUJDAIGG-UHFFFAOYSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.33
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-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 74230900) is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1.
What is the InChIKey of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is XRDJQJNUJDAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18(2)25-10-8-20(9-11-25)15-23(28)26-12-13-27-22(17-26)16-21(24-27)14-19-6-4-3-5-7-19/h3-7,16,18,20H,8-15,17H2,1-2H3.
What are the key properties of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 380.54 g/mol, XLogP of 3.33, 5 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-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 74230900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).