2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C9H8F3N3 — CID 753093

IUPAC2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C)cc2n1
InChIInChI=1S/C9H8F3N3/c1-5-3-7(9(10,11)12)15-8(13-5)4-6(2)14-15/h3-4H,1-2H3
InChIKeyKDIDITUWGJPLKT-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.36
Rot. Bonds

About 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 753093) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID753093
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C)cc2n1
InChIInChI=1S/C9H8F3N3/c1-5-3-7(9(10,11)12)15-8(13-5)4-6(2)14-15/h3-4H,1-2H3
InChIKeyKDIDITUWGJPLKT-UHFFFAOYSA-N
XLogP2.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 753093) is 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KDIDITUWGJPLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-5-3-7(9(10,11)12)15-8(13-5)4-6(2)14-15/h3-4H,1-2H3.
What are the key properties of 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 215.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 753093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).