(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

C21H19N3O3 — CID 170713079

IUPAC(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESC[C@@H]1Cn2ncc(C(=O)O)c2C(=O)N1c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C21H19N3O3/c1-14-13-23-19(18(12-22-23)21(26)27)20(25)24(14)17-9-7-16(8-10-17)11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyOOTXAQMXNWCFPY-CQSZACIVSA-N
MW361.40 g/mol
LogP3.22
Rot. Bonds4

About (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 170713079) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID170713079
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESC[C@@H]1Cn2ncc(C(=O)O)c2C(=O)N1c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C21H19N3O3/c1-14-13-23-19(18(12-22-23)21(26)27)20(25)24(14)17-9-7-16(8-10-17)11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyOOTXAQMXNWCFPY-CQSZACIVSA-N
XLogP3.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 170713079) is (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid is C[C@@H]1Cn2ncc(C(=O)O)c2C(=O)N1c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is OOTXAQMXNWCFPY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-13-23-19(18(12-22-23)21(26)27)20(25)24(14)17-9-7-16(8-10-17)11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,26,27)/t14-/m1/s1.
What are the key properties of (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
(6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(4-benzylphenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 170713079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).