3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C15H11ClF3N3 — CID 2916290

IUPAC3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H11ClF3N3/c1-8-7-12(15(17,18)19)22-14(20-8)13(9(2)21-22)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyWKKAWONCQZYQPM-UHFFFAOYSA-N
MW325.72 g/mol
LogP4.69
Rot. Bonds1

About 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2916290) has the molecular formula C15H11ClF3N3 and a molecular weight of 325.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2916290
Molecular FormulaC15H11ClF3N3
Molecular Weight325.72 g/mol
Exact Mass325.06
IUPAC Name3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H11ClF3N3/c1-8-7-12(15(17,18)19)22-14(20-8)13(9(2)21-22)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyWKKAWONCQZYQPM-UHFFFAOYSA-N
XLogP4.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2916290) is 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WKKAWONCQZYQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3/c1-8-7-12(15(17,18)19)22-14(20-8)13(9(2)21-22)10-3-5-11(16)6-4-10/h3-7H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 325.72 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2916290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).