6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine

C19H14BrN3O2S — CID 1214626

IUPAC6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccccc3)c(S(=O)(=O)c3ccccc3)cnc2c1Br
InChIInChI=1S/C19H14BrN3O2S/c1-13-17(20)19-21-12-16(26(24,25)15-10-6-3-7-11-15)18(23(19)22-13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeySUCIQSLMTAELIO-UHFFFAOYSA-N
MW428.31 g/mol
LogP4.30
Rot. Bonds3

About 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine

6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1214626) has the molecular formula C19H14BrN3O2S and a molecular weight of 428.31 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1214626
Molecular FormulaC19H14BrN3O2S
Molecular Weight428.31 g/mol
Exact Mass427.00
IUPAC Name6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccccc3)c(S(=O)(=O)c3ccccc3)cnc2c1Br
InChIInChI=1S/C19H14BrN3O2S/c1-13-17(20)19-21-12-16(26(24,25)15-10-6-3-7-11-15)18(23(19)22-13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeySUCIQSLMTAELIO-UHFFFAOYSA-N
XLogP4.30
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine (CID 1214626) is 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccccc3)c(S(=O)(=O)c3ccccc3)cnc2c1Br.
What is the InChIKey of 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SUCIQSLMTAELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2S/c1-13-17(20)19-21-12-16(26(24,25)15-10-6-3-7-11-15)18(23(19)22-13)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 428.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).