(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

C14H13N3O4 — CID 68952351

IUPAC(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCN1C[C@H](c2ccccc2)n2nc(C(=O)O)c(O)c2C1=O
InChIInChI=1S/C14H13N3O4/c1-16-7-9(8-5-3-2-4-6-8)17-11(13(16)19)12(18)10(15-17)14(20)21/h2-6,9,18H,7H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyDWQPCCOYYOFGLT-SECBINFHSA-N
MW287.28 g/mol
LogP0.96
Rot. Bonds2

About (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 68952351) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID68952351
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCN1C[C@H](c2ccccc2)n2nc(C(=O)O)c(O)c2C1=O
InChIInChI=1S/C14H13N3O4/c1-16-7-9(8-5-3-2-4-6-8)17-11(13(16)19)12(18)10(15-17)14(20)21/h2-6,9,18H,7H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyDWQPCCOYYOFGLT-SECBINFHSA-N
XLogP0.96
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

5-fluoro-2-[[[(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]methyl]benzoic acid
CID 68952640
methyl (7S)-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86637145
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 68953073
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-3-hydroxy-5-methyl-4-oxo-7-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 54681853
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
CID 70520475
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(3S)-2-methyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129410825
methyl 1-[(S)-[(8R)-4-hydroxy-6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-8-yl]-phenylmethyl]indazole-3-carboxylate
CID 122532555
methyl 1-[(4-hydroxy-6-methyl-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-8-yl)-phenylmethyl]indazole-3-carboxylate
CID 122532433
6-(4-methyl-2-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 17449591
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 37332382

Frequently Asked Questions

What is the IUPAC name of (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 68952351) is (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is CN1C[C@H](c2ccccc2)n2nc(C(=O)O)c(O)c2C1=O.
What is the InChIKey of (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is DWQPCCOYYOFGLT-SECBINFHSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-16-7-9(8-5-3-2-4-6-8)17-11(13(16)19)12(18)10(15-17)14(20)21/h2-6,9,18H,7H2,1H3,(H,20,21)/t9-/m1/s1.
What are the key properties of (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68952351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).