2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C14H9ClF3N3 — CID 754718

IUPAC2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C14H9ClF3N3/c1-8-6-12(14(16,17)18)21-13(19-8)7-11(20-21)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyGGUIKWCBLAVDRG-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.38
Rot. Bonds1

About 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 754718) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID754718
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C14H9ClF3N3/c1-8-6-12(14(16,17)18)21-13(19-8)7-11(20-21)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyGGUIKWCBLAVDRG-UHFFFAOYSA-N
XLogP4.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 754718) is 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GGUIKWCBLAVDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c1-8-6-12(14(16,17)18)21-13(19-8)7-11(20-21)9-2-4-10(15)5-3-9/h2-7H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 311.69 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 754718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).