2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol

C18H16F3N3O2 — CID 58806638

IUPAC2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C18H16F3N3O2/c1-26-17-7-6-14(11-22-17)24-15(10-16(23-24)18(19,20)21)13-4-2-12(3-5-13)8-9-25/h2-7,10-11,25H,8-9H2,1H3
InChIKeyNRLRYLZGYOKNMM-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.50
Rot. Bonds5

About 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol

2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol (PubChem CID 58806638) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
PubChem CID58806638
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCO)cc2)cn1
InChIInChI=1S/C18H16F3N3O2/c1-26-17-7-6-14(11-22-17)24-15(10-16(23-24)18(19,20)21)13-4-2-12(3-5-13)8-9-25/h2-7,10-11,25H,8-9H2,1H3
InChIKeyNRLRYLZGYOKNMM-UHFFFAOYSA-N
XLogP3.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol (CID 58806638) is 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CCO)cc2)cn1.
What is the InChIKey of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
The InChIKey is NRLRYLZGYOKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-26-17-7-6-14(11-22-17)24-15(10-16(23-24)18(19,20)21)13-4-2-12(3-5-13)8-9-25/h2-7,10-11,25H,8-9H2,1H3.
What are the key properties of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol?
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol has a molecular weight of 363.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 58806638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).