3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C17H16F3N3O — CID 110006229

IUPAC3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn(Cc2cccc3cccnc23)nc1C(F)(F)F
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)16-14(7-3-9-24)11-23(22-16)10-13-5-1-4-12-6-2-8-21-15(12)13/h1-2,4-6,8,11,24H,3,7,9-10H2
InChIKeyYGPAEIMPZUNEJL-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.42
Rot. Bonds5

About 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 110006229) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID110006229
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn(Cc2cccc3cccnc23)nc1C(F)(F)F
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)16-14(7-3-9-24)11-23(22-16)10-13-5-1-4-12-6-2-8-21-15(12)13/h1-2,4-6,8,11,24H,3,7,9-10H2
InChIKeyYGPAEIMPZUNEJL-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 110006229) is 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is OCCCc1cn(Cc2cccc3cccnc23)nc1C(F)(F)F.
What is the InChIKey of 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is YGPAEIMPZUNEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)16-14(7-3-9-24)11-23(22-16)10-13-5-1-4-12-6-2-8-21-15(12)13/h1-2,4-6,8,11,24H,3,7,9-10H2.
What are the key properties of 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 335.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 110006229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).