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

C8H7N3O2 — CID 105436742

IUPAC6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnc2ccnn2c1C(=O)O
InChIInChI=1S/C8H7N3O2/c1-5-4-9-6-2-3-10-11(6)7(5)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyBENSMVUXVLEEFV-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.74
Rot. Bonds1

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

6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 105436742) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID105436742
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnc2ccnn2c1C(=O)O
InChIInChI=1S/C8H7N3O2/c1-5-4-9-6-2-3-10-11(6)7(5)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyBENSMVUXVLEEFV-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

Analyze 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic 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 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 105436742) is 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cnc2ccnn2c1C(=O)O.
What is the InChIKey of 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is BENSMVUXVLEEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-4-9-6-2-3-10-11(6)7(5)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
6-methylpyrazolo[1,5-a]pyrimidine-7-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 6-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 105436742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).