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

C16H18N4O3S — CID 52918031

IUPAC3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(COC)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)20-16(18-11)14(15(17-2)19-20)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyDXULVPMDABIRHL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.06
Rot. Bonds5

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

3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 52918031) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID52918031
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(COC)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)20-16(18-11)14(15(17-2)19-20)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyDXULVPMDABIRHL-UHFFFAOYSA-N
XLogP2.06
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 52918031) is 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(COC)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is DXULVPMDABIRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-9-12(10-23-3)20-16(18-11)14(15(17-2)19-20)24(21,22)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 346.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 52918031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).