7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

C17H21ClF3N3 — CID 146588722

IUPAC7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1nc2cc(C3CCC(C(F)(F)F)CC3)nn2c(Cl)c1CC
InChIInChI=1S/C17H21ClF3N3/c1-3-12-13(4-2)22-15-9-14(23-24(15)16(12)18)10-5-7-11(8-6-10)17(19,20)21/h9-11H,3-8H2,1-2H3
InChIKeyXATJGPHSETVTBZ-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.34
Rot. Bonds3

About 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine

7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 146588722) has the molecular formula C17H21ClF3N3 and a molecular weight of 359.82 g/mol. Its IUPAC name is 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
PubChem CID146588722
Molecular FormulaC17H21ClF3N3
Molecular Weight359.82 g/mol
Exact Mass359.14
IUPAC Name7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1nc2cc(C3CCC(C(F)(F)F)CC3)nn2c(Cl)c1CC
InChIInChI=1S/C17H21ClF3N3/c1-3-12-13(4-2)22-15-9-14(23-24(15)16(12)18)10-5-7-11(8-6-10)17(19,20)21/h9-11H,3-8H2,1-2H3
InChIKeyXATJGPHSETVTBZ-UHFFFAOYSA-N
XLogP5.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]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-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine (CID 146588722) is 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is CCc1nc2cc(C3CCC(C(F)(F)F)CC3)nn2c(Cl)c1CC.
What is the InChIKey of 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XATJGPHSETVTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3/c1-3-12-13(4-2)22-15-9-14(23-24(15)16(12)18)10-5-7-11(8-6-10)17(19,20)21/h9-11H,3-8H2,1-2H3.
What are the key properties of 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine?
7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 359.82 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146588722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).