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

C14H10F3N3 — CID 753095

IUPAC2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C14H10F3N3/c1-9-7-13-18-11(10-5-3-2-4-6-10)8-12(14(15,16)17)20(13)19-9/h2-8H,1H3
InChIKeyKBXGXKFVWZXAMV-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.72
Rot. Bonds1

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

2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 753095) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID753095
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C14H10F3N3/c1-9-7-13-18-11(10-5-3-2-4-6-10)8-12(14(15,16)17)20(13)19-9/h2-8H,1H3
InChIKeyKBXGXKFVWZXAMV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 753095) is 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KBXGXKFVWZXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-9-7-13-18-11(10-5-3-2-4-6-10)8-12(14(15,16)17)20(13)19-9/h2-8H,1H3.
What are the key properties of 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-5-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 2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 753095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).