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

C14H14N4O2S — CID 53324896

IUPAC3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c1-10-8-9-18-14(16-10)12(13(15-2)17-18)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
InChIKeyLLRSKWJLJFTWMG-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.91
Rot. Bonds3

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

3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 53324896) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID53324896
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c1-10-8-9-18-14(16-10)12(13(15-2)17-18)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
InChIKeyLLRSKWJLJFTWMG-UHFFFAOYSA-N
XLogP1.91
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.91
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-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 53324896) is 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2ccc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LLRSKWJLJFTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-8-9-18-14(16-10)12(13(15-2)17-18)21(19,20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17).
What are the key properties of 3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 302.36 g/mol, XLogP of 1.91, 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-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 53324896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).