1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione

C22H23N3O3 — CID 126689625

IUPAC1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
SMILESCC(C)N1CC(c2ccccc2)n2c(c(O)c(=O)n2Cc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O3/c1-15(2)23-14-18(17-11-7-4-8-12-17)25-19(21(23)27)20(26)22(28)24(25)13-16-9-5-3-6-10-16/h3-12,15,18,26H,13-14H2,1-2H3
InChIKeyCLNSVQALMHSOTC-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.86
Rot. Bonds4

About 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione

1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione (PubChem CID 126689625) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
PubChem CID126689625
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
SMILESCC(C)N1CC(c2ccccc2)n2c(c(O)c(=O)n2Cc2ccccc2)C1=O
InChIInChI=1S/C22H23N3O3/c1-15(2)23-14-18(17-11-7-4-8-12-17)25-19(21(23)27)20(26)22(28)24(25)13-16-9-5-3-6-10-16/h3-12,15,18,26H,13-14H2,1-2H3
InChIKeyCLNSVQALMHSOTC-UHFFFAOYSA-N
XLogP2.86
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
The IUPAC name of 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione (CID 126689625) is 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
The canonical SMILES for 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione is CC(C)N1CC(c2ccccc2)n2c(c(O)c(=O)n2Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
The InChIKey is CLNSVQALMHSOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(2)23-14-18(17-11-7-4-8-12-17)25-19(21(23)27)20(26)22(28)24(25)13-16-9-5-3-6-10-16/h3-12,15,18,26H,13-14H2,1-2H3.
What are the key properties of 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione?
1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione has a molecular weight of 377.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione is sourced from PubChem (CID 126689625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).