7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H16F3N3 — CID 136838152

IUPAC7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2CCNc3cc(C(F)(F)F)nn32)cc1C
InChIInChI=1S/C15H16F3N3/c1-9-3-4-11(7-10(9)2)12-5-6-19-14-8-13(15(16,17)18)20-21(12)14/h3-4,7-8,12,19H,5-6H2,1-2H3
InChIKeyHOQPJEDOYKEKJE-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.92
Rot. Bonds1

About 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838152) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838152
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2CCNc3cc(C(F)(F)F)nn32)cc1C
InChIInChI=1S/C15H16F3N3/c1-9-3-4-11(7-10(9)2)12-5-6-19-14-8-13(15(16,17)18)20-21(12)14/h3-4,7-8,12,19H,5-6H2,1-2H3
InChIKeyHOQPJEDOYKEKJE-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838152) is 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccc(C2CCNc3cc(C(F)(F)F)nn32)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HOQPJEDOYKEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-3-4-11(7-10(9)2)12-5-6-19-14-8-13(15(16,17)18)20-21(12)14/h3-4,7-8,12,19H,5-6H2,1-2H3.
What are the key properties of 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 295.31 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).