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

C8H7N3O2 — CID 23091947

IUPAC2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)cn2n1
InChIInChI=1S/C8H7N3O2/c1-5-2-7-9-3-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKeyYHVGUXFUOSJCFJ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds1

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

2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 23091947) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID23091947
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)cn2n1
InChIInChI=1S/C8H7N3O2/c1-5-2-7-9-3-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKeyYHVGUXFUOSJCFJ-UHFFFAOYSA-N
XLogP0.74
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
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
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
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
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 23091947) is 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cc2ncc(C(=O)O)cn2n1.
What is the InChIKey of 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is YHVGUXFUOSJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-2-7-9-3-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13).
What are the key properties of 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 23091947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).