1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine

C10H10ClF3N4 — CID 86619396

IUPAC1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)n1nc(C(F)(F)F)c2c(Cl)ncnc21
InChIInChI=1S/C10H10ClF3N4/c1-9(2,3)18-8-5(7(11)15-4-16-8)6(17-18)10(12,13)14/h4H,1-3H3
InChIKeyLRRBSBYKUDBUCC-UHFFFAOYSA-N
MW278.67 g/mol
LogP3.25
Rot. Bonds

About 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine

1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 86619396) has the molecular formula C10H10ClF3N4 and a molecular weight of 278.67 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID86619396
Molecular FormulaC10H10ClF3N4
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)n1nc(C(F)(F)F)c2c(Cl)ncnc21
InChIInChI=1S/C10H10ClF3N4/c1-9(2,3)18-8-5(7(11)15-4-16-8)6(17-18)10(12,13)14/h4H,1-3H3
InChIKeyLRRBSBYKUDBUCC-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]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 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine (CID 86619396) is 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine is CC(C)(C)n1nc(C(F)(F)F)c2c(Cl)ncnc21.
What is the InChIKey of 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is LRRBSBYKUDBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4/c1-9(2,3)18-8-5(7(11)15-4-16-8)6(17-18)10(12,13)14/h4H,1-3H3.
What are the key properties of 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine?
1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 278.67 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloro-3-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 86619396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).