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

C9H6FN3O3 — CID 70321794

IUPAC7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)nc2c(F)cnn12
InChIInChI=1S/C9H6FN3O3/c1-4(14)7-2-6(9(15)16)12-8-5(10)3-11-13(7)8/h2-3H,1H3,(H,15,16)
InChIKeyPLQABUNPNQNEFG-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.77
Rot. Bonds2

About 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 70321794) has the molecular formula C9H6FN3O3 and a molecular weight of 223.16 g/mol. Its IUPAC name is 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID70321794
Molecular FormulaC9H6FN3O3
Molecular Weight223.16 g/mol
Exact Mass223.04
IUPAC Name7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)nc2c(F)cnn12
InChIInChI=1S/C9H6FN3O3/c1-4(14)7-2-6(9(15)16)12-8-5(10)3-11-13(7)8/h2-3H,1H3,(H,15,16)
InChIKeyPLQABUNPNQNEFG-UHFFFAOYSA-N
XLogP0.77
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-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 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 70321794) is 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(=O)c1cc(C(=O)O)nc2c(F)cnn12.
What is the InChIKey of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is PLQABUNPNQNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O3/c1-4(14)7-2-6(9(15)16)12-8-5(10)3-11-13(7)8/h2-3H,1H3,(H,15,16).
What are the key properties of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 223.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 70321794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).