4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C9H6F3N3O3 — CID 82271440

IUPAC4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O3/c1-14-4(8(17)18)2-7(16)15-6(14)3-5(13-15)9(10,11)12/h2-3H,1H3,(H,17,18)
InChIKeyLUNSMWWAFNFXSZ-UHFFFAOYSA-N
MW261.16 g/mol
LogP0.75
Rot. Bonds1

About 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271440) has the molecular formula C9H6F3N3O3 and a molecular weight of 261.16 g/mol. Its IUPAC name is 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271440
Molecular FormulaC9H6F3N3O3
Molecular Weight261.16 g/mol
Exact Mass261.04
IUPAC Name4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O3/c1-14-4(8(17)18)2-7(16)15-6(14)3-5(13-15)9(10,11)12/h2-3H,1H3,(H,17,18)
InChIKeyLUNSMWWAFNFXSZ-UHFFFAOYSA-N
XLogP0.75
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271440) is 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cn1c(C(=O)O)cc(=O)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is LUNSMWWAFNFXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3/c1-14-4(8(17)18)2-7(16)15-6(14)3-5(13-15)9(10,11)12/h2-3H,1H3,(H,17,18).
What are the key properties of 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 261.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).