5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H5F2N3O2 — CID 129284359

IUPAC5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(C(F)F)nc12
InChIInChI=1S/C8H5F2N3O2/c9-6(10)5-1-2-13-7(12-5)4(3-11-13)8(14)15/h1-3,6H,(H,14,15)
InChIKeyYNWMPPGEAICGTA-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.37
Rot. Bonds2

About 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 129284359) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID129284359
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(C(F)F)nc12
InChIInChI=1S/C8H5F2N3O2/c9-6(10)5-1-2-13-7(12-5)4(3-11-13)8(14)15/h1-3,6H,(H,14,15)
InChIKeyYNWMPPGEAICGTA-UHFFFAOYSA-N
XLogP1.37
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 129284359) is 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(C(F)F)nc12.
What is the InChIKey of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YNWMPPGEAICGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-6(10)5-1-2-13-7(12-5)4(3-11-13)8(14)15/h1-3,6H,(H,14,15).
What are the key properties of 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 213.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 129284359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).