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

C13H10BrClN4O2S — CID 10046634

IUPAC3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(Cl)nc3c(Br)cnn23)cc1
InChIInChI=1S/C13H10BrClN4O2S/c1-22(20,21)9-4-2-8(3-5-9)17-12-6-11(15)18-13-10(14)7-16-19(12)13/h2-7,17H,1H3
InChIKeyBIWIJUBNRCUSAT-UHFFFAOYSA-N
MW401.67 g/mol
LogP3.29
Rot. Bonds3

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

3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10046634) has the molecular formula C13H10BrClN4O2S and a molecular weight of 401.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10046634
Molecular FormulaC13H10BrClN4O2S
Molecular Weight401.67 g/mol
Exact Mass399.94
IUPAC Name3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1ccc(Nc2cc(Cl)nc3c(Br)cnn23)cc1
InChIInChI=1S/C13H10BrClN4O2S/c1-22(20,21)9-4-2-8(3-5-9)17-12-6-11(15)18-13-10(14)7-16-19(12)13/h2-7,17H,1H3
InChIKeyBIWIJUBNRCUSAT-UHFFFAOYSA-N
XLogP3.29
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.67
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10046634) is 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3c(Br)cnn23)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BIWIJUBNRCUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4O2S/c1-22(20,21)9-4-2-8(3-5-9)17-12-6-11(15)18-13-10(14)7-16-19(12)13/h2-7,17H,1H3.
What are the key properties of 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 401.67 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10046634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).