3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C21H18BrN3 — CID 66498417

IUPAC3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Br)cc1
InChIInChI=1S/C21H18BrN3/c1-3-18-20(16-8-10-17(22)11-9-16)21-23-13-12-19(25(21)24-18)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3
InChIKeyNQYKTNCBEWZSCZ-UHFFFAOYSA-N
MW392.30 g/mol
LogP5.70
Rot. Bonds3

About 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 66498417) has the molecular formula C21H18BrN3 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID66498417
Molecular FormulaC21H18BrN3
Molecular Weight392.30 g/mol
Exact Mass391.07
IUPAC Name3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Br)cc1
InChIInChI=1S/C21H18BrN3/c1-3-18-20(16-8-10-17(22)11-9-16)21-23-13-12-19(25(21)24-18)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3
InChIKeyNQYKTNCBEWZSCZ-UHFFFAOYSA-N
XLogP5.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)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

3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
CID 66498472
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 56738010
2-(ethoxymethyl)-7-(4-fluorophenyl)-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 141325485
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56738017
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 42647785
2-ethyl-3-(4-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 56922032
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141325534
5-(4-bromophenyl)-4-ethyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
CID 66498414
3-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 66498123
7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171358628
3-bromo-7-[4-(difluoromethoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 4775806
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 66498417) is 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is CCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NQYKTNCBEWZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3/c1-3-18-20(16-8-10-17(22)11-9-16)21-23-13-12-19(25(21)24-18)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 392.30 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).