3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C23H20F3N3 — CID 141325534

IUPAC3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCCCc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1ccc(C)cc1
InChIInChI=1S/C23H20F3N3/c1-3-5-19-21(16-10-8-15(2)9-11-16)22-27-13-12-20(29(22)28-19)17-6-4-7-18(14-17)23(24,25)26/h4,6-14H,3,5H2,1-2H3
InChIKeyOUUXZLORIKTGCU-UHFFFAOYSA-N
MW395.43 g/mol
LogP6.34
Rot. Bonds4

About 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 141325534) has the molecular formula C23H20F3N3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID141325534
Molecular FormulaC23H20F3N3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCCCc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1ccc(C)cc1
InChIInChI=1S/C23H20F3N3/c1-3-5-19-21(16-10-8-15(2)9-11-16)22-27-13-12-20(29(22)28-19)17-6-4-7-18(14-17)23(24,25)26/h4,6-14H,3,5H2,1-2H3
InChIKeyOUUXZLORIKTGCU-UHFFFAOYSA-N
XLogP6.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 66498417
methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 23329844
1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 23329841
3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 66498123
3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
CID 66498472
2-ethyl-3-(4-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 56922032
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56738017
2-ethyl-7-(3-fluorophenyl)-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
CID 141325513
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 42647785
[1-[3-(4-chlorophenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 56932951
N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 2741018
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 141325534) is 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is CCCc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OUUXZLORIKTGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3/c1-3-5-19-21(16-10-8-15(2)9-11-16)22-27-13-12-20(29(22)28-19)17-6-4-7-18(14-17)23(24,25)26/h4,6-14H,3,5H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 395.43 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141325534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).