7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C8H5F2N3O2 — CID 103200547

IUPAC7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(C(F)F)n2n1
InChIInChI=1S/C8H5F2N3O2/c9-7(10)5-1-2-11-6-3-4(8(14)15)12-13(5)6/h1-3,7H,(H,14,15)
InChIKeyMEPMEQHYWCUMJL-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.37
Rot. Bonds2

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

7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 103200547) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID103200547
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(C(F)F)n2n1
InChIInChI=1S/C8H5F2N3O2/c9-7(10)5-1-2-11-6-3-4(8(14)15)12-13(5)6/h1-3,7H,(H,14,15)
InChIKeyMEPMEQHYWCUMJL-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

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 103200547) is 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nccc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MEPMEQHYWCUMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-7(10)5-1-2-11-6-3-4(8(14)15)12-13(5)6/h1-3,7H,(H,14,15).
What are the key properties of 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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 7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).