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

C27H19ClF3N3O — CID 17308240

IUPAC2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(COc2ccc(-c3cc(C(F)(F)F)n4nc(-c5ccc(Cl)cc5)cc4n3)cc2)cc1
InChIInChI=1S/C27H19ClF3N3O/c1-17-2-4-18(5-3-17)16-35-22-12-8-19(9-13-22)23-14-25(27(29,30)31)34-26(32-23)15-24(33-34)20-6-10-21(28)11-7-20/h2-15H,16H2,1H3
InChIKeyYLCAVJGVTVIQTL-UHFFFAOYSA-N
MW493.92 g/mol
LogP7.62
Rot. Bonds5

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

2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 17308240) has the molecular formula C27H19ClF3N3O and a molecular weight of 493.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID17308240
Molecular FormulaC27H19ClF3N3O
Molecular Weight493.92 g/mol
Exact Mass493.12
IUPAC Name2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(COc2ccc(-c3cc(C(F)(F)F)n4nc(-c5ccc(Cl)cc5)cc4n3)cc2)cc1
InChIInChI=1S/C27H19ClF3N3O/c1-17-2-4-18(5-3-17)16-35-22-12-8-19(9-13-22)23-14-25(27(29,30)31)34-26(32-23)15-24(33-34)20-6-10-21(28)11-7-20/h2-15H,16H2,1H3
InChIKeyYLCAVJGVTVIQTL-UHFFFAOYSA-N
XLogP7.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.92
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17308245
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
2-(4-methylphenyl)-5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17132284
2-(3-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 15991295
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394788
2-cyclopropyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823389
3-(4-chlorophenyl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522142
3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308198
5-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4771477
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 19297284
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 895690
2-[4-[5-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19332436

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 17308240) is 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(COc2ccc(-c3cc(C(F)(F)F)n4nc(-c5ccc(Cl)cc5)cc4n3)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YLCAVJGVTVIQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF3N3O/c1-17-2-4-18(5-3-17)16-35-22-12-8-19(9-13-22)23-14-25(27(29,30)31)34-26(32-23)15-24(33-34)20-6-10-21(28)11-7-20/h2-15H,16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(4-chlorophenyl)-5-[4-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 493.92 g/mol, XLogP of 7.62, 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-[(4-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17308240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).