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

C14H10F3N3 — CID 708222

IUPAC5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H10F3N3/c1-9-7-12(14(15,16)17)20-13(18-9)8-11(19-20)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMSZMOELUYHCFJA-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.72
Rot. Bonds1

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

5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 708222) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID708222
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H10F3N3/c1-9-7-12(14(15,16)17)20-13(18-9)8-11(19-20)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMSZMOELUYHCFJA-UHFFFAOYSA-N
XLogP3.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 708222) is 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MSZMOELUYHCFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-9-7-12(14(15,16)17)20-13(18-9)8-11(19-20)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 277.25 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 708222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).