2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H12BrClN4 — CID 126077911

IUPAC2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnc2cc(-c3ccc(Br)cc3)nn12
InChIInChI=1S/C18H12BrClN4/c19-13-5-1-12(2-6-13)16-9-17-22-10-15(18(21)24(17)23-16)11-3-7-14(20)8-4-11/h1-10H,21H2
InChIKeyGWWDXSOGCFITEM-UHFFFAOYSA-N
MW399.68 g/mol
LogP5.06
Rot. Bonds2

About 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126077911) has the molecular formula C18H12BrClN4 and a molecular weight of 399.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126077911
Molecular FormulaC18H12BrClN4
Molecular Weight399.68 g/mol
Exact Mass397.99
IUPAC Name2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnc2cc(-c3ccc(Br)cc3)nn12
InChIInChI=1S/C18H12BrClN4/c19-13-5-1-12(2-6-13)16-9-17-22-10-15(18(21)24(17)23-16)11-3-7-14(20)8-4-11/h1-10H,21H2
InChIKeyGWWDXSOGCFITEM-UHFFFAOYSA-N
XLogP5.06
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.68
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1280151
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane
CID 132535846
3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126058344
3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16767083
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
5-bromo-3-(4-chlorophenyl)-1-methylpyrazole
CID 84713066
2-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 86760503
2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 3265312
1-bromo-4-chlorobenzene
CID 7806
2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridine;hydrobromide
CID 67123039
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylphenol
CID 135750248
1-(2-bromophenyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 43542919

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126077911) is 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccc(Cl)cc2)cnc2cc(-c3ccc(Br)cc3)nn12.
What is the InChIKey of 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GWWDXSOGCFITEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4/c19-13-5-1-12(2-6-13)16-9-17-22-10-15(18(21)24(17)23-16)11-3-7-14(20)8-4-11/h1-10H,21H2.
What are the key properties of 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 399.68 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126077911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).