3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

C15H16N4O2S — CID 44516817

IUPAC3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
InChIKeyYPVOSIDECMYMTD-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.22
Rot. Bonds3

About 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 44516817) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID44516817
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18)
InChIKeyYPVOSIDECMYMTD-UHFFFAOYSA-N
XLogP2.22
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 44516817) is 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YPVOSIDECMYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 316.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 44516817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).