4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline

C14H10F4N4O2S — CID 133439954

IUPAC4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1cc(F)ccc1NCc1ccnc2ccnn12)C(F)(F)F
InChIInChI=1S/C14H10F4N4O2S/c15-9-1-2-11(12(7-9)25(23,24)14(16,17)18)20-8-10-3-5-19-13-4-6-21-22(10)13/h1-7,20H,8H2
InChIKeyHHGYDHCYALFWKO-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.77
Rot. Bonds4

About 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline

4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline (PubChem CID 133439954) has the molecular formula C14H10F4N4O2S and a molecular weight of 374.32 g/mol. Its IUPAC name is 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
PubChem CID133439954
Molecular FormulaC14H10F4N4O2S
Molecular Weight374.32 g/mol
Exact Mass374.05
IUPAC Name4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1cc(F)ccc1NCc1ccnc2ccnn12)C(F)(F)F
InChIInChI=1S/C14H10F4N4O2S/c15-9-1-2-11(12(7-9)25(23,24)14(16,17)18)20-8-10-3-5-19-13-4-6-21-22(10)13/h1-7,20H,8H2
InChIKeyHHGYDHCYALFWKO-UHFFFAOYSA-N
XLogP2.77
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline (CID 133439954) is 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1cc(F)ccc1NCc1ccnc2ccnn12)C(F)(F)F.
What is the InChIKey of 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is HHGYDHCYALFWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O2S/c15-9-1-2-11(12(7-9)25(23,24)14(16,17)18)20-8-10-3-5-19-13-4-6-21-22(10)13/h1-7,20H,8H2.
What are the key properties of 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline?
4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 374.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 133439954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).