4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione

C25H23N5O2 — CID 53333799

IUPAC4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
SMILESCc1ccccc1-c1cc2c(N3CC(=O)N(CCc4ccccc4)C(=O)C3)nccn2n1
InChIInChI=1S/C25H23N5O2/c1-18-7-5-6-10-20(18)21-15-22-25(26-12-14-30(22)27-21)28-16-23(31)29(24(32)17-28)13-11-19-8-3-2-4-9-19/h2-10,12,14-15H,11,13,16-17H2,1H3
InChIKeyBQQGZGIGXLUKNO-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.12
Rot. Bonds5

About 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione

4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione (PubChem CID 53333799) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
PubChem CID53333799
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
SMILESCc1ccccc1-c1cc2c(N3CC(=O)N(CCc4ccccc4)C(=O)C3)nccn2n1
InChIInChI=1S/C25H23N5O2/c1-18-7-5-6-10-20(18)21-15-22-25(26-12-14-30(22)27-21)28-16-23(31)29(24(32)17-28)13-11-19-8-3-2-4-9-19/h2-10,12,14-15H,11,13,16-17H2,1H3
InChIKeyBQQGZGIGXLUKNO-UHFFFAOYSA-N
XLogP3.12
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione (CID 53333799) is 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione is Cc1ccccc1-c1cc2c(N3CC(=O)N(CCc4ccccc4)C(=O)C3)nccn2n1.
What is the InChIKey of 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
The InChIKey is BQQGZGIGXLUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-18-7-5-6-10-20(18)21-15-22-25(26-12-14-30(22)27-21)28-16-23(31)29(24(32)17-28)13-11-19-8-3-2-4-9-19/h2-10,12,14-15H,11,13,16-17H2,1H3.
What are the key properties of 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione?
4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione has a molecular weight of 425.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione is sourced from PubChem (CID 53333799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).