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

C11H10ClF3IN3 — CID 2780657

IUPAC2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1I
InChIInChI=1S/C11H10ClF3IN3/c1-10(2,3)8-7(16)9-17-5(11(13,14)15)4-6(12)19(9)18-8/h4H,1-3H3
InChIKeyWAHJZLLXPONJBB-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.30
Rot. Bonds

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

2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2780657) has the molecular formula C11H10ClF3IN3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2780657
Molecular FormulaC11H10ClF3IN3
Molecular Weight403.57 g/mol
Exact Mass402.96
IUPAC Name2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1I
InChIInChI=1S/C11H10ClF3IN3/c1-10(2,3)8-7(16)9-17-5(11(13,14)15)4-6(12)19(9)18-8/h4H,1-3H3
InChIKeyWAHJZLLXPONJBB-UHFFFAOYSA-N
XLogP4.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-tert-butyl-7-chloro-3-iodo-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

Related Compounds

3-bromo-2-tert-butyl-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2780655
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 104621729
3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 21066435
3-(3-bromophenyl)-7-chloro-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274775
2-(4-tert-butylphenyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819685
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
7-chloro-3-(2-chlorophenyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274740
7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82270027
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
5-chloro-1-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
CID 130917876

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2780657) is 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1I.
What is the InChIKey of 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WAHJZLLXPONJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3IN3/c1-10(2,3)8-7(16)9-17-5(11(13,14)15)4-6(12)19(9)18-8/h4H,1-3H3.
What are the key properties of 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 403.57 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloro-3-iodo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2780657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).