[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C15H15F4N3O — CID 91767903

IUPAC[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(Cc1cccc(F)c1C(F)(F)F)C2
InChIInChI=1S/C15H15F4N3O/c16-13-3-1-2-10(14(13)15(17,18)19)7-21-4-5-22-12(8-21)6-11(9-23)20-22/h1-3,6,23H,4-5,7-9H2
InChIKeyRXMPJMMTASSXHC-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.55
Rot. Bonds3

About [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91767903) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91767903
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC Name[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(Cc1cccc(F)c1C(F)(F)F)C2
InChIInChI=1S/C15H15F4N3O/c16-13-3-1-2-10(14(13)15(17,18)19)7-21-4-5-22-12(8-21)6-11(9-23)20-22/h1-3,6,23H,4-5,7-9H2
InChIKeyRXMPJMMTASSXHC-UHFFFAOYSA-N
XLogP2.55
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91767903) is [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(Cc1cccc(F)c1C(F)(F)F)C2.
What is the InChIKey of [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is RXMPJMMTASSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c16-13-3-1-2-10(14(13)15(17,18)19)7-21-4-5-22-12(8-21)6-11(9-23)20-22/h1-3,6,23H,4-5,7-9H2.
What are the key properties of [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 329.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91767903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).