3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

C15H15N3O2S — CID 52915868

IUPAC3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O2S/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)21(19,20)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeySIJFRULREICUCH-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.49
Rot. Bonds2

About 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 52915868) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID52915868
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O2S/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)21(19,20)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeySIJFRULREICUCH-UHFFFAOYSA-N
XLogP2.49
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 52915868) is 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SIJFRULREICUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)21(19,20)13-7-5-4-6-8-13/h4-9H,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 301.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 52915868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).