7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C14H8F3N3O3 — CID 175525244

IUPAC7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)8-3-1-7(2-4-8)10-5-11(21)20-12(19-10)9(6-18-20)13(22)23/h1-6,18H,(H,22,23)
InChIKeyKZGQFTSJJMWCNF-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.41
Rot. Bonds2

About 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 175525244) has the molecular formula C14H8F3N3O3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID175525244
Molecular FormulaC14H8F3N3O3
Molecular Weight323.23 g/mol
Exact Mass323.05
IUPAC Name7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c[nH]n2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H8F3N3O3/c15-14(16,17)8-3-1-7(2-4-8)10-5-11(21)20-12(19-10)9(6-18-20)13(22)23/h1-6,18H,(H,22,23)
InChIKeyKZGQFTSJJMWCNF-UHFFFAOYSA-N
XLogP2.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 175525244) is 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c[nH]n2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is KZGQFTSJJMWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O3/c15-14(16,17)8-3-1-7(2-4-8)10-5-11(21)20-12(19-10)9(6-18-20)13(22)23/h1-6,18H,(H,22,23).
What are the key properties of 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 323.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 175525244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).