1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone

C21H26N4O2 — CID 74251472

IUPAC1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1
InChIInChI=1S/C21H26N4O2/c1-16(26)23-9-7-18(8-10-23)21(27)24-11-12-25-20(15-24)14-19(22-25)13-17-5-3-2-4-6-17/h2-6,14,18H,7-13,15H2,1H3
InChIKeyDSAQTDHFDHKMEG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone

1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone (PubChem CID 74251472) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone
PubChem CID74251472
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1
InChIInChI=1S/C21H26N4O2/c1-16(26)23-9-7-18(8-10-23)21(27)24-11-12-25-20(15-24)14-19(22-25)13-17-5-3-2-4-6-17/h2-6,14,18H,7-13,15H2,1H3
InChIKeyDSAQTDHFDHKMEG-UHFFFAOYSA-N
XLogP2.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone (CID 74251472) is 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1.
What is the InChIKey of 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is DSAQTDHFDHKMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(26)23-9-7-18(8-10-23)21(27)24-11-12-25-20(15-24)14-19(22-25)13-17-5-3-2-4-6-17/h2-6,14,18H,7-13,15H2,1H3.
What are the key properties of 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone?
1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 366.47 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 74251472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).