2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid

C9H11N3O3 — CID 20887728

IUPAC2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)O
InChIInChI=1S/C9H11N3O3/c1-6-4-7-11(5-9(14)15)8(13)2-3-12(7)10-6/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeyWADVQDFAXHNQJQ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds2

About 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid

2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid (PubChem CID 20887728) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid
PubChem CID20887728
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid
SMILESCc1cc2n(n1)CCC(=O)N2CC(=O)O
InChIInChI=1S/C9H11N3O3/c1-6-4-7-11(5-9(14)15)8(13)2-3-12(7)10-6/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeyWADVQDFAXHNQJQ-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid (CID 20887728) is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid is Cc1cc2n(n1)CCC(=O)N2CC(=O)O.
What is the InChIKey of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid?
The InChIKey is WADVQDFAXHNQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-6-4-7-11(5-9(14)15)8(13)2-3-12(7)10-6/h4H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid?
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 20887728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).