1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione

C22H23N3O2 — CID 126717536

IUPAC1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
SMILESCC(C)N1CC(c2ccccc2)n2c(cc(=O)n2Cc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O2/c1-16(2)23-15-20(18-11-7-4-8-12-18)25-19(22(23)27)13-21(26)24(25)14-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3
InChIKeyUZGUVEOZYJNFDF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.15
Rot. Bonds4

About 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione

1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione (PubChem CID 126717536) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
PubChem CID126717536
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
SMILESCC(C)N1CC(c2ccccc2)n2c(cc(=O)n2Cc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O2/c1-16(2)23-15-20(18-11-7-4-8-12-18)25-19(22(23)27)13-21(26)24(25)14-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3
InChIKeyUZGUVEOZYJNFDF-UHFFFAOYSA-N
XLogP3.15
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
The IUPAC name of 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione (CID 126717536) is 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione.
What is the SMILES notation for 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
The canonical SMILES for 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione is CC(C)N1CC(c2ccccc2)n2c(cc(=O)n2Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
The InChIKey is UZGUVEOZYJNFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)23-15-20(18-11-7-4-8-12-18)25-19(22(23)27)13-21(26)24(25)14-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3.
What are the key properties of 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione has a molecular weight of 361.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione is sourced from PubChem (CID 126717536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).