1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol

C15H17F3N4O — CID 166308751

IUPAC1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol
SMILESCn1cc(CN2CCC(O)(c3cccnc3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O/c1-21-8-11(13(20-21)15(16,17)18)9-22-6-4-14(23,10-22)12-3-2-5-19-7-12/h2-3,5,7-8,23H,4,6,9-10H2,1H3
InChIKeyUYBZTBIGLBASMX-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.93
Rot. Bonds3

About 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol

1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol (PubChem CID 166308751) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol
PubChem CID166308751
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol
SMILESCn1cc(CN2CCC(O)(c3cccnc3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O/c1-21-8-11(13(20-21)15(16,17)18)9-22-6-4-14(23,10-22)12-3-2-5-19-7-12/h2-3,5,7-8,23H,4,6,9-10H2,1H3
InChIKeyUYBZTBIGLBASMX-UHFFFAOYSA-N
XLogP1.93
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967113
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460
1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967108
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908028
1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 168923879
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 91761605
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967098

Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol?
The IUPAC name of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol (CID 166308751) is 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol?
The canonical SMILES for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol is Cn1cc(CN2CCC(O)(c3cccnc3)C2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol?
The InChIKey is UYBZTBIGLBASMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-21-8-11(13(20-21)15(16,17)18)9-22-6-4-14(23,10-22)12-3-2-5-19-7-12/h2-3,5,7-8,23H,4,6,9-10H2,1H3.
What are the key properties of 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol?
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol has a molecular weight of 326.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-pyridin-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 166308751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).