3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C14H9F4N3 — CID 1474458

IUPAC3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C14H9F4N3/c1-8-6-12(14(16,17)18)21-13(20-8)11(7-19-21)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyYGKPGZHKZHIYKA-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.86
Rot. Bonds1

About 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1474458) has the molecular formula C14H9F4N3 and a molecular weight of 295.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1474458
Molecular FormulaC14H9F4N3
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C14H9F4N3/c1-8-6-12(14(16,17)18)21-13(20-8)11(7-19-21)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyYGKPGZHKZHIYKA-UHFFFAOYSA-N
XLogP3.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1474458) is 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YGKPGZHKZHIYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3/c1-8-6-12(14(16,17)18)21-13(20-8)11(7-19-21)9-2-4-10(15)5-3-9/h2-7H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 295.24 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1474458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).