2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C26H15Cl3F3N3O — CID 17308245

IUPAC2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C26H15Cl3F3N3O/c27-17-8-4-16(5-9-17)23-13-25-33-22(12-24(26(30,31)32)35(25)34-23)15-6-10-18(11-7-15)36-14-19-20(28)2-1-3-21(19)29/h1-13H,14H2
InChIKeyVQVJWCBJQKTUPA-UHFFFAOYSA-N
MW548.78 g/mol
LogP8.62
Rot. Bonds5

About 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 17308245) has the molecular formula C26H15Cl3F3N3O and a molecular weight of 548.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID17308245
Molecular FormulaC26H15Cl3F3N3O
Molecular Weight548.78 g/mol
Exact Mass547.02
IUPAC Name2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C26H15Cl3F3N3O/c27-17-8-4-16(5-9-17)23-13-25-33-22(12-24(26(30,31)32)35(25)34-23)15-6-10-18(11-7-15)36-14-19-20(28)2-1-3-21(19)29/h1-13H,14H2
InChIKeyVQVJWCBJQKTUPA-UHFFFAOYSA-N
XLogP8.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.78
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(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

2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17308240
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
3-(4-chlorophenyl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522142
5-[4-[(2-chlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 22332347
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19407164
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19287408
2-(3-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 15991295
5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113970
2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17132284
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 895690
6-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(3-chlorophenyl)-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17309053
N-(3-acetylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113984

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 17308245) is 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)nc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is VQVJWCBJQKTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl3F3N3O/c27-17-8-4-16(5-9-17)23-13-25-33-22(12-24(26(30,31)32)35(25)34-23)15-6-10-18(11-7-15)36-14-19-20(28)2-1-3-21(19)29/h1-13H,14H2.
What are the key properties of 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 548.78 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17308245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).