3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine

C20H15Br2N3 — CID 66498472

IUPAC3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccc(Br)cc3)ccnc2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H15Br2N3/c1-2-17-19(14-5-9-16(22)10-6-14)20-23-12-11-18(25(20)24-17)13-3-7-15(21)8-4-13/h3-12H,2H2,1H3
InChIKeyLRBGXCLCEMRNLE-UHFFFAOYSA-N
MW457.17 g/mol
LogP6.15
Rot. Bonds3

About 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine

3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine (PubChem CID 66498472) has the molecular formula C20H15Br2N3 and a molecular weight of 457.17 g/mol. Its IUPAC name is 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
PubChem CID66498472
Molecular FormulaC20H15Br2N3
Molecular Weight457.17 g/mol
Exact Mass454.96
IUPAC Name3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(-c3ccc(Br)cc3)ccnc2c1-c1ccc(Br)cc1
InChIInChI=1S/C20H15Br2N3/c1-2-17-19(14-5-9-16(22)10-6-14)20-23-12-11-18(25(20)24-17)13-3-7-15(21)8-4-13/h3-12H,2H2,1H3
InChIKeyLRBGXCLCEMRNLE-UHFFFAOYSA-N
XLogP6.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.17
LogP ≤ 56.15
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
3-(4-chlorophenyl)-2-ethyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 56738010
2-ethyl-3-(4-fluorophenyl)-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 56922032
5-(4-bromophenyl)-4-ethyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
CID 66498414
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-(4-chlorophenyl)-2-ethyl-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 66498123
3-(3-chlorophenyl)-2-ethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 56921095
7-(4-bromophenyl)-2-ethylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50946425
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 42647785
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141325534
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine (CID 66498472) is 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine is CCc1nn2c(-c3ccc(Br)cc3)ccnc2c1-c1ccc(Br)cc1.
What is the InChIKey of 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LRBGXCLCEMRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N3/c1-2-17-19(14-5-9-16(22)10-6-14)20-23-12-11-18(25(20)24-17)13-3-7-15(21)8-4-13/h3-12H,2H2,1H3.
What are the key properties of 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine?
3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 457.17 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).