3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C13H16N4O4 — CID 66171584

IUPAC3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1cc(C)n2ncc(C(=O)NCC(C)(O)C(=O)O)c2n1
InChIInChI=1S/C13H16N4O4/c1-7-4-8(2)17-10(16-7)9(5-15-17)11(18)14-6-13(3,21)12(19)20/h4-5,21H,6H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyGBUBOFSJRPBRTI-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.09
Rot. Bonds4

About 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66171584) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66171584
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1cc(C)n2ncc(C(=O)NCC(C)(O)C(=O)O)c2n1
InChIInChI=1S/C13H16N4O4/c1-7-4-8(2)17-10(16-7)9(5-15-17)11(18)14-6-13(3,21)12(19)20/h4-5,21H,6H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyGBUBOFSJRPBRTI-UHFFFAOYSA-N
XLogP-0.09
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic 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-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66171584) is 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is Cc1cc(C)n2ncc(C(=O)NCC(C)(O)C(=O)O)c2n1.
What is the InChIKey of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GBUBOFSJRPBRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7-4-8(2)17-10(16-7)9(5-15-17)11(18)14-6-13(3,21)12(19)20/h4-5,21H,6H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 292.30 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66171584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).