7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H11ClF3N3 — CID 104621607

IUPAC7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2nc(C(F)(F)F)c(C)c(Cl)n2n1
InChIInChI=1S/C11H11ClF3N3/c1-3-4-7-5-8-16-9(11(13,14)15)6(2)10(12)18(8)17-7/h5H,3-4H2,1-2H3
InChIKeyRRUUVHVXXSOTAU-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.66
Rot. Bonds2

About 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104621607) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104621607
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2nc(C(F)(F)F)c(C)c(Cl)n2n1
InChIInChI=1S/C11H11ClF3N3/c1-3-4-7-5-8-16-9(11(13,14)15)6(2)10(12)18(8)17-7/h5H,3-4H2,1-2H3
InChIKeyRRUUVHVXXSOTAU-UHFFFAOYSA-N
XLogP3.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-6-methyl-2-propyl-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 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 104621607) is 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCCc1cc2nc(C(F)(F)F)c(C)c(Cl)n2n1.
What is the InChIKey of 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RRUUVHVXXSOTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-3-4-7-5-8-16-9(11(13,14)15)6(2)10(12)18(8)17-7/h5H,3-4H2,1-2H3.
What are the key properties of 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 277.68 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-2-propyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).