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

C12H12N4O2 — CID 16637310

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)O
InChIInChI=1S/C12H12N4O2/c1-7-10(3-4-11(17)18)8(2)16-12(15-7)9(5-13)6-14-16/h6H,3-4H2,1-2H3,(H,17,18)
InChIKeyAOFBMCIQKCEFFI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.24
Rot. Bonds3

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

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 16637310) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID16637310
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)O
InChIInChI=1S/C12H12N4O2/c1-7-10(3-4-11(17)18)8(2)16-12(15-7)9(5-13)6-14-16/h6H,3-4H2,1-2H3,(H,17,18)
InChIKeyAOFBMCIQKCEFFI-UHFFFAOYSA-N
XLogP1.24
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 16637310) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is AOFBMCIQKCEFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-10(3-4-11(17)18)8(2)16-12(15-7)9(5-13)6-14-16/h6H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 16637310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).