3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one

C21H27N5O2 — CID 74248636

IUPAC3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one
SMILESCCN1CCNC(=O)C1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C21H27N5O2/c1-2-24-9-8-22-21(28)19(24)14-20(27)25-10-11-26-18(15-25)13-17(23-26)12-16-6-4-3-5-7-16/h3-7,13,19H,2,8-12,14-15H2,1H3,(H,22,28)
InChIKeyFQHJLJGCNFWQPB-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.03
Rot. Bonds5

About 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one

3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one (PubChem CID 74248636) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one.

Molecular Properties

Compound Name3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one
PubChem CID74248636
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one
SMILESCCN1CCNC(=O)C1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1
InChIInChI=1S/C21H27N5O2/c1-2-24-9-8-22-21(28)19(24)14-20(27)25-10-11-26-18(15-25)13-17(23-26)12-16-6-4-3-5-7-16/h3-7,13,19H,2,8-12,14-15H2,1H3,(H,22,28)
InChIKeyFQHJLJGCNFWQPB-UHFFFAOYSA-N
XLogP1.03
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one?
The IUPAC name of 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one (CID 74248636) is 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one.
What is the SMILES notation for 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one?
The canonical SMILES for 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one is CCN1CCNC(=O)C1CC(=O)N1CCn2nc(Cc3ccccc3)cc2C1.
What is the InChIKey of 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one?
The InChIKey is FQHJLJGCNFWQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-24-9-8-22-21(28)19(24)14-20(27)25-10-11-26-18(15-25)13-17(23-26)12-16-6-4-3-5-7-16/h3-7,13,19H,2,8-12,14-15H2,1H3,(H,22,28).
What are the key properties of 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one?
3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-ethylpiperazin-2-one is sourced from PubChem (CID 74248636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).