3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H14BrClN4O2S — CID 10435170

IUPAC3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H14BrClN4O2S/c1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19/h2-11,23H,1H3
InChIKeyTUGJJKKQXXMMGU-UHFFFAOYSA-N
MW477.77 g/mol
LogP4.96
Rot. Bonds4

About 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10435170) has the molecular formula C19H14BrClN4O2S and a molecular weight of 477.77 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10435170
Molecular FormulaC19H14BrClN4O2S
Molecular Weight477.77 g/mol
Exact Mass475.97
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H14BrClN4O2S/c1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19/h2-11,23H,1H3
InChIKeyTUGJJKKQXXMMGU-UHFFFAOYSA-N
XLogP4.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.77
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10435170) is 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TUGJJKKQXXMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN4O2S/c1-28(26,27)13-8-6-12(7-9-13)23-18-10-17(14-4-2-3-5-16(14)21)24-19-15(20)11-22-25(18)19/h2-11,23H,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 477.77 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10435170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).