5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C11H9F3N3O2- — CID 7446836

IUPAC5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1
InChIInChI=1S/C11H10F3N3O2/c1-5(2)6-3-8(11(12,13)14)17-9(15-6)4-7(16-17)10(18)19/h3-5H,1-2H3,(H,18,19)/p-1
InChIKeyAXYZDEYBQFUMOK-UHFFFAOYSA-M
MW272.21 g/mol
LogP1.24
Rot. Bonds2

About 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 7446836) has the molecular formula C11H9F3N3O2- and a molecular weight of 272.21 g/mol. Its IUPAC name is 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID7446836
Molecular FormulaC11H9F3N3O2-
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Name5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1
InChIInChI=1S/C11H10F3N3O2/c1-5(2)6-3-8(11(12,13)14)17-9(15-6)4-7(16-17)10(18)19/h3-5H,1-2H3,(H,18,19)/p-1
InChIKeyAXYZDEYBQFUMOK-UHFFFAOYSA-M
XLogP1.24
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 7446836) is 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CC(C)c1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1.
What is the InChIKey of 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is AXYZDEYBQFUMOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10F3N3O2/c1-5(2)6-3-8(11(12,13)14)17-9(15-6)4-7(16-17)10(18)19/h3-5H,1-2H3,(H,18,19)/p-1.
What are the key properties of 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 272.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 7446836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).