7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H7F2N3O2 — CID 103200682

IUPAC7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(-c3c(F)cccc3F)ccnc12
InChIInChI=1S/C13H7F2N3O2/c14-8-2-1-3-9(15)11(8)10-4-5-16-12-7(13(19)20)6-17-18(10)12/h1-6H,(H,19,20)
InChIKeyLLCGDARJSZJLAJ-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.37
Rot. Bonds2

About 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 103200682) has the molecular formula C13H7F2N3O2 and a molecular weight of 275.21 g/mol. Its IUPAC name is 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID103200682
Molecular FormulaC13H7F2N3O2
Molecular Weight275.21 g/mol
Exact Mass275.05
IUPAC Name7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(-c3c(F)cccc3F)ccnc12
InChIInChI=1S/C13H7F2N3O2/c14-8-2-1-3-9(15)11(8)10-4-5-16-12-7(13(19)20)6-17-18(10)12/h1-6H,(H,19,20)
InChIKeyLLCGDARJSZJLAJ-UHFFFAOYSA-N
XLogP2.37
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-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

Related Compounds

7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
5,7-dichloro-6-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141272199
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 14501865
7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 46196965
(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46167886
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19327477
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 24969569
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972126
3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 146674023
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 103200682) is 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(-c3c(F)cccc3F)ccnc12.
What is the InChIKey of 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is LLCGDARJSZJLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O2/c14-8-2-1-3-9(15)11(8)10-4-5-16-12-7(13(19)20)6-17-18(10)12/h1-6H,(H,19,20).
What are the key properties of 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 275.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 103200682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).