[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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Related Compounds

{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
2-{[1-ethyl-3-(hydroxymethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methyl}benzonitrile
CID 129612017
[1-benzyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 57081623
{5-(4-fluorophenyl)-1-isobutyl-1H-pyrazol-3-yl}methanol
CID 83500614
[2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-methanol
CID 86600626
[1-[(4-Fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
CID 118561237
tert-butyl 1-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 118561350
1-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 118561458
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl]methanol
CID 131966409
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl]methanol
CID 134224697
[6-Fluoro-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
CID 137456365
(5-Fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanol
CID 137456615

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).