4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C11H16F3N3 — CID 134571902

IUPAC4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)N1CCC(C(F)(F)F)n2nccc21
InChIInChI=1S/C11H16F3N3/c1-10(2,3)16-7-5-8(11(12,13)14)17-9(16)4-6-15-17/h4,6,8H,5,7H2,1-3H3
InChIKeyDGGFXUXVMKEGDD-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.00
Rot. Bonds

About 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134571902) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134571902
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)N1CCC(C(F)(F)F)n2nccc21
InChIInChI=1S/C11H16F3N3/c1-10(2,3)16-7-5-8(11(12,13)14)17-9(16)4-6-15-17/h4,6,8H,5,7H2,1-3H3
InChIKeyDGGFXUXVMKEGDD-UHFFFAOYSA-N
XLogP3.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-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 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134571902) is 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is CC(C)(C)N1CCC(C(F)(F)F)n2nccc21.
What is the InChIKey of 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is DGGFXUXVMKEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-10(2,3)16-7-5-8(11(12,13)14)17-9(16)4-6-15-17/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 247.26 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134571902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).