3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H10BrClF3N3 — CID 2780655

IUPAC3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1Br
InChIInChI=1S/C11H10BrClF3N3/c1-10(2,3)8-7(12)9-17-5(11(14,15)16)4-6(13)19(9)18-8/h4H,1-3H3
InChIKeyPQVZXRPOMBXWBX-UHFFFAOYSA-N
MW356.57 g/mol
LogP4.46
Rot. Bonds

About 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2780655) has the molecular formula C11H10BrClF3N3 and a molecular weight of 356.57 g/mol. Its IUPAC name is 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2780655
Molecular FormulaC11H10BrClF3N3
Molecular Weight356.57 g/mol
Exact Mass354.97
IUPAC Name3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1Br
InChIInChI=1S/C11H10BrClF3N3/c1-10(2,3)8-7(12)9-17-5(11(14,15)16)4-6(13)19(9)18-8/h4H,1-3H3
InChIKeyPQVZXRPOMBXWBX-UHFFFAOYSA-N
XLogP4.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.57
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-tert-butyl-7-chloro-5-(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 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2780655) is 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1Br.
What is the InChIKey of 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PQVZXRPOMBXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3N3/c1-10(2,3)8-7(12)9-17-5(11(14,15)16)4-6(13)19(9)18-8/h4H,1-3H3.
What are the key properties of 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 356.57 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2780655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).