3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C12H15N3O2 — CID 4962359

IUPAC3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1cc2nc(C)c(CCC(=O)O)c(C)n2n1
InChIInChI=1S/C12H15N3O2/c1-7-6-11-13-8(2)10(4-5-12(16)17)9(3)15(11)14-7/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyAHYIJUKMQAHZNZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds3

About 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 4962359) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID4962359
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1cc2nc(C)c(CCC(=O)O)c(C)n2n1
InChIInChI=1S/C12H15N3O2/c1-7-6-11-13-8(2)10(4-5-12(16)17)9(3)15(11)14-7/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyAHYIJUKMQAHZNZ-UHFFFAOYSA-N
XLogP1.67
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 4962359) is 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1cc2nc(C)c(CCC(=O)O)c(C)n2n1.
What is the InChIKey of 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is AHYIJUKMQAHZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-6-11-13-8(2)10(4-5-12(16)17)9(3)15(11)14-7/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 4962359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).