5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C9H9N3O2 — CID 709095

IUPAC5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C)n2nc(C(=O)O)cc2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-6(2)12-8(10-5)4-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyNJJMZMNKPOVXQM-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.04
Rot. Bonds1

About 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 709095) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID709095
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C)n2nc(C(=O)O)cc2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-6(2)12-8(10-5)4-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyNJJMZMNKPOVXQM-UHFFFAOYSA-N
XLogP1.04
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 670824
5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 845435
Pyrazolo(1,5-a)pyrimidine-2-carboxylic acid, 3-chloro-5-methyl-7-(trifluoromethyl)-
CID 1153121
9-(trifluoromethyl)-5H,6H,7H,8H-pyrazolo[3,2-b]quinazoline-2-carboxylic acid
CID 845265
5-Methyl-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 689497
2-(Trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.0,3,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
CID 777464
5-Methylpyrazolo(1,5-a)pyrimidine-7-carboxylic acid
CID 29091059
Methyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 840802
6-Methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 18524444
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 28065148
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 43839795
7-Methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59764197

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 709095) is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(C)n2nc(C(=O)O)cc2n1.
What is the InChIKey of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is NJJMZMNKPOVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-6(2)12-8(10-5)4-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 709095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).