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

C11H13N3O2 — CID 83888625

IUPAC2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid
SMILESCc1cn2ncc(C(C)C(=O)O)c2nc1C
InChIInChI=1S/C11H13N3O2/c1-6-5-14-10(13-8(6)3)9(4-12-14)7(2)11(15)16/h4-5,7H,1-3H3,(H,15,16)
InChIKeyMYDCKKULVGLMAA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.53
Rot. Bonds2

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

2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid (PubChem CID 83888625) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid
PubChem CID83888625
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid
SMILESCc1cn2ncc(C(C)C(=O)O)c2nc1C
InChIInChI=1S/C11H13N3O2/c1-6-5-14-10(13-8(6)3)9(4-12-14)7(2)11(15)16/h4-5,7H,1-3H3,(H,15,16)
InChIKeyMYDCKKULVGLMAA-UHFFFAOYSA-N
XLogP1.53
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid?
The IUPAC name of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid (CID 83888625) is 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid?
The canonical SMILES for 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid is Cc1cn2ncc(C(C)C(=O)O)c2nc1C.
What is the InChIKey of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid?
The InChIKey is MYDCKKULVGLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-5-14-10(13-8(6)3)9(4-12-14)7(2)11(15)16/h4-5,7H,1-3H3,(H,15,16).
What are the key properties of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid?
2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 83888625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).