2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C9H9N3O2 — CID 2736303

IUPAC2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)c(C)n2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(9(13)14)6(2)12(8)11-5/h3-4H,1-2H3,(H,13,14)
InChIKeyCACYYYIWDACOAQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.04
Rot. Bonds1

About 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 2736303) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID2736303
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)c(C)n2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(9(13)14)6(2)12(8)11-5/h3-4H,1-2H3,(H,13,14)
InChIKeyCACYYYIWDACOAQ-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

Pyrazophos
CID 26033
1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 670824
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
7-Methyl-3-nitropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 668033
Ethyl 3-cyano-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 698967
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
Ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1089239
6-Allyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3235916

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 2736303) is 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cc2ncc(C(=O)O)c(C)n2n1.
What is the InChIKey of 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is CACYYYIWDACOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(9(13)14)6(2)12(8)11-5/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-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 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 2736303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).