pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

C11H10F3N3O — CID 163515042

IUPACpyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESOC(c1ccncc1)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-17-6-3-9(16-17)10(18)8-1-4-15-5-2-8/h1-6,10,18H,7H2
InChIKeyDFYRLUWBQSBARL-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.92
Rot. Bonds3

About pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (PubChem CID 163515042) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Namepyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
PubChem CID163515042
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Namepyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESOC(c1ccncc1)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-17-6-3-9(16-17)10(18)8-1-4-15-5-2-8/h1-6,10,18H,7H2
InChIKeyDFYRLUWBQSBARL-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The IUPAC name of pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (CID 163515042) is pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The canonical SMILES for pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is OC(c1ccncc1)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The InChIKey is DFYRLUWBQSBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)7-17-6-3-9(16-17)10(18)8-1-4-15-5-2-8/h1-6,10,18H,7H2.
What are the key properties of pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol has a molecular weight of 257.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 163515042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).