2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid

C17H19N3O3 — CID 53213613

IUPAC2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
SMILESCC(C)c1ccc(-c2cc3n(n2)CCN(CC(=O)O)C3=O)cc1
InChIInChI=1S/C17H19N3O3/c1-11(2)12-3-5-13(6-4-12)14-9-15-17(23)19(10-16(21)22)7-8-20(15)18-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyKOIIPFLGGLQORA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.21
Rot. Bonds4

About 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid

2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid (PubChem CID 53213613) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
PubChem CID53213613
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
SMILESCC(C)c1ccc(-c2cc3n(n2)CCN(CC(=O)O)C3=O)cc1
InChIInChI=1S/C17H19N3O3/c1-11(2)12-3-5-13(6-4-12)14-9-15-17(23)19(10-16(21)22)7-8-20(15)18-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyKOIIPFLGGLQORA-UHFFFAOYSA-N
XLogP2.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid?
The IUPAC name of 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid (CID 53213613) is 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid is CC(C)c1ccc(-c2cc3n(n2)CCN(CC(=O)O)C3=O)cc1.
What is the InChIKey of 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid?
The InChIKey is KOIIPFLGGLQORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(2)12-3-5-13(6-4-12)14-9-15-17(23)19(10-16(21)22)7-8-20(15)18-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid?
2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid is sourced from PubChem (CID 53213613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).