2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H13F3N4 — CID 17132284

IUPAC2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc3nc(-c4ccccn4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C19H13F3N4/c1-12-5-7-13(8-6-12)15-11-18-24-16(14-4-2-3-9-23-14)10-17(19(20,21)22)26(18)25-15/h2-11H,1H3
InChIKeyHGSWHBXIRURLPB-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.79
Rot. Bonds2

About 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 17132284) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID17132284
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc3nc(-c4ccccn4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C19H13F3N4/c1-12-5-7-13(8-6-12)15-11-18-24-16(14-4-2-3-9-23-14)10-17(19(20,21)22)26(18)25-15/h2-11H,1H3
InChIKeyHGSWHBXIRURLPB-UHFFFAOYSA-N
XLogP4.79
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 17132284) is 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc3nc(-c4ccccn4)cc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HGSWHBXIRURLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-12-5-7-13(8-6-12)15-11-18-24-16(14-4-2-3-9-23-14)10-17(19(20,21)22)26(18)25-15/h2-11H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 354.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17132284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).