2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C12H16N4O2S — CID 2819517

IUPAC2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCS(=O)(=O)c1cnc2cc(C3CC3)nn2c1N
InChIInChI=1S/C12H16N4O2S/c1-2-5-19(17,18)10-7-14-11-6-9(8-3-4-8)15-16(11)12(10)13/h6-8H,2-5,13H2,1H3
InChIKeyQGKWGLVRORTBSO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.37
Rot. Bonds4

About 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2819517) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2819517
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCS(=O)(=O)c1cnc2cc(C3CC3)nn2c1N
InChIInChI=1S/C12H16N4O2S/c1-2-5-19(17,18)10-7-14-11-6-9(8-3-4-8)15-16(11)12(10)13/h6-8H,2-5,13H2,1H3
InChIKeyQGKWGLVRORTBSO-UHFFFAOYSA-N
XLogP1.37
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2819517) is 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CCCS(=O)(=O)c1cnc2cc(C3CC3)nn2c1N.
What is the InChIKey of 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QGKWGLVRORTBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-5-19(17,18)10-7-14-11-6-9(8-3-4-8)15-16(11)12(10)13/h6-8H,2-5,13H2,1H3.
What are the key properties of 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 280.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-propylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2819517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).