[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol

C15H17F3N4O — CID 141430929

IUPAC[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccc(Cn3ccc(C(F)(F)F)n3)cn2)C1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)13-4-6-22(20-13)9-11-1-2-14(19-7-11)21-5-3-12(8-21)10-23/h1-2,4,6-7,12,23H,3,5,8-10H2/t12-/m1/s1
InChIKeyUNUVOEGBXGAFON-GFCCVEGCSA-N
MW326.32 g/mol
LogP2.16
Rot. Bonds4

About [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol

[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 141430929) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID141430929
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(c2ccc(Cn3ccc(C(F)(F)F)n3)cn2)C1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)13-4-6-22(20-13)9-11-1-2-14(19-7-11)21-5-3-12(8-21)10-23/h1-2,4,6-7,12,23H,3,5,8-10H2/t12-/m1/s1
InChIKeyUNUVOEGBXGAFON-GFCCVEGCSA-N
XLogP2.16
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 141430929) is [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(c2ccc(Cn3ccc(C(F)(F)F)n3)cn2)C1.
What is the InChIKey of [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is UNUVOEGBXGAFON-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)13-4-6-22(20-13)9-11-1-2-14(19-7-11)21-5-3-12(8-21)10-23/h1-2,4,6-7,12,23H,3,5,8-10H2/t12-/m1/s1.
What are the key properties of [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 326.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 141430929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).