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

C14H14N4O3S — CID 130451708

IUPAC3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(OC)ccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O3S/c1-15-13-12(22(19,20)10-6-4-3-5-7-10)14-16-9-8-11(21-2)18(14)17-13/h3-9H,1-2H3,(H,15,17)
InChIKeyKQNYNLIKRBKEFC-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.61
Rot. Bonds4

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

3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451708) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID130451708
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(OC)ccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N4O3S/c1-15-13-12(22(19,20)10-6-4-3-5-7-10)14-16-9-8-11(21-2)18(14)17-13/h3-9H,1-2H3,(H,15,17)
InChIKeyKQNYNLIKRBKEFC-UHFFFAOYSA-N
XLogP1.61
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine (CID 130451708) is 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(OC)ccnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is KQNYNLIKRBKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-15-13-12(22(19,20)10-6-4-3-5-7-10)14-16-9-8-11(21-2)18(14)17-13/h3-9H,1-2H3,(H,15,17).
What are the key properties of 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 318.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).