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

C9H6F3N3O2 — CID 86207927

IUPAC3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnn2c(C(=O)O)cc(C(F)(F)F)nc12
InChIInChI=1S/C9H6F3N3O2/c1-4-3-13-15-5(8(16)17)2-6(9(10,11)12)14-7(4)15/h2-3H,1H3,(H,16,17)
InChIKeyFVVPKUNEEAQXPQ-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.75
Rot. Bonds1

About 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 86207927) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID86207927
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnn2c(C(=O)O)cc(C(F)(F)F)nc12
InChIInChI=1S/C9H6F3N3O2/c1-4-3-13-15-5(8(16)17)2-6(9(10,11)12)14-7(4)15/h2-3H,1H3,(H,16,17)
InChIKeyFVVPKUNEEAQXPQ-UHFFFAOYSA-N
XLogP1.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 86207927) is 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cnn2c(C(=O)O)cc(C(F)(F)F)nc12.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is FVVPKUNEEAQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c1-4-3-13-15-5(8(16)17)2-6(9(10,11)12)14-7(4)15/h2-3H,1H3,(H,16,17).
What are the key properties of 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 86207927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).