3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C7H4FN3O2 — CID 115015803

IUPAC3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(F)cnn2c1
InChIInChI=1S/C7H4FN3O2/c8-5-2-10-11-3-4(7(12)13)1-9-6(5)11/h1-3H,(H,12,13)
InChIKeyUKSQEBPOZFEFGN-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.57
Rot. Bonds1

About 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 115015803) has the molecular formula C7H4FN3O2 and a molecular weight of 181.13 g/mol. Its IUPAC name is 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID115015803
Molecular FormulaC7H4FN3O2
Molecular Weight181.13 g/mol
Exact Mass181.03
IUPAC Name3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2c(F)cnn2c1
InChIInChI=1S/C7H4FN3O2/c8-5-2-10-11-3-4(7(12)13)1-9-6(5)11/h1-3H,(H,12,13)
InChIKeyUKSQEBPOZFEFGN-UHFFFAOYSA-N
XLogP0.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoropyrazolo[1,5-a]pyrimidine-6-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 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 115015803) is 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2c(F)cnn2c1.
What is the InChIKey of 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is UKSQEBPOZFEFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O2/c8-5-2-10-11-3-4(7(12)13)1-9-6(5)11/h1-3H,(H,12,13).
What are the key properties of 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 181.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 115015803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).