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

C14H13N3O2S — CID 1472656

IUPAC3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyDERQCQDVQZMDRO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.18
Rot. Bonds2

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

3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 1472656) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID1472656
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyDERQCQDVQZMDRO-UHFFFAOYSA-N
XLogP2.18
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 1472656) is 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DERQCQDVQZMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-8-11(2)17-14(16-10)13(9-15-17)20(18,19)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 287.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1472656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).