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

C11H13N3O2 — CID 84724471

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCc1cc(C)n2nc(CCC(=O)O)cc2n1
InChIInChI=1S/C11H13N3O2/c1-7-5-8(2)14-10(12-7)6-9(13-14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyGZQHPIVDPZKLNG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.36
Rot. Bonds3

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

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid (PubChem CID 84724471) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
PubChem CID84724471
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCc1cc(C)n2nc(CCC(=O)O)cc2n1
InChIInChI=1S/C11H13N3O2/c1-7-5-8(2)14-10(12-7)6-9(13-14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyGZQHPIVDPZKLNG-UHFFFAOYSA-N
XLogP1.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 72896986
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 20855075
3-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]propanoic acid
CID 82159419
3-(5-bromo-1-methylpyrazol-3-yl)propanoic acid
CID 84726762
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207162
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 144569738
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
3-(1-methyl-5-propan-2-ylpyrazol-3-yl)propanoic acid
CID 82606665
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-ethylamino]propanoic acid
CID 61007778
3-(6-methylpyrazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 83832449
6-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]hexanoic acid
CID 100917989

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid (CID 84724471) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid is Cc1cc(C)n2nc(CCC(=O)O)cc2n1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The InChIKey is GZQHPIVDPZKLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-5-8(2)14-10(12-7)6-9(13-14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84724471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).