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

C11H15N3O3 — CID 20887732

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-8-7-9-13(5-2-3-11(16)17)10(15)4-6-14(9)12-8/h7H,2-6H2,1H3,(H,16,17)
InChIKeyYMWJEWNZVQSHRG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds4

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

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid (PubChem CID 20887732) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid
PubChem CID20887732
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-8-7-9-13(5-2-3-11(16)17)10(15)4-6-14(9)12-8/h7H,2-6H2,1H3,(H,16,17)
InChIKeyYMWJEWNZVQSHRG-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid (CID 20887732) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)O.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid?
The InChIKey is YMWJEWNZVQSHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-7-9-13(5-2-3-11(16)17)10(15)4-6-14(9)12-8/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 20887732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).