3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide

C9H9F3N4O2S — CID 91629192

IUPAC3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)Nc1cnc2ccnn2c1
InChIInChI=1S/C9H9F3N4O2S/c10-9(11,12)2-4-19(17,18)15-7-5-13-8-1-3-14-16(8)6-7/h1,3,5-6,15H,2,4H2
InChIKeyUYTOHHOYDZZAJT-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.42
Rot. Bonds4

About 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide

3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide (PubChem CID 91629192) has the molecular formula C9H9F3N4O2S and a molecular weight of 294.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide
PubChem CID91629192
Molecular FormulaC9H9F3N4O2S
Molecular Weight294.26 g/mol
Exact Mass294.04
IUPAC Name3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)Nc1cnc2ccnn2c1
InChIInChI=1S/C9H9F3N4O2S/c10-9(11,12)2-4-19(17,18)15-7-5-13-8-1-3-14-16(8)6-7/h1,3,5-6,15H,2,4H2
InChIKeyUYTOHHOYDZZAJT-UHFFFAOYSA-N
XLogP1.42
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide (CID 91629192) is 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)Nc1cnc2ccnn2c1.
What is the InChIKey of 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide?
The InChIKey is UYTOHHOYDZZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2S/c10-9(11,12)2-4-19(17,18)15-7-5-13-8-1-3-14-16(8)6-7/h1,3,5-6,15H,2,4H2.
What are the key properties of 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide?
3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide has a molecular weight of 294.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide is sourced from PubChem (CID 91629192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).