2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol

C18H20FN5O2 — CID 163307443

IUPAC2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CCOCC2)nc1-c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C18H20FN5O2/c19-14-4-2-1-3-13(14)15-11-16(22-21-15)18-20-17(23-24(18)7-8-25)12-5-9-26-10-6-12/h1-4,11-12,25H,5-10H2,(H,21,22)
InChIKeyYZJIJAFYIKFCDM-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.36
Rot. Bonds5

About 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol

2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 163307443) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID163307443
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(C2CCOCC2)nc1-c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C18H20FN5O2/c19-14-4-2-1-3-13(14)15-11-16(22-21-15)18-20-17(23-24(18)7-8-25)12-5-9-26-10-6-12/h1-4,11-12,25H,5-10H2,(H,21,22)
InChIKeyYZJIJAFYIKFCDM-UHFFFAOYSA-N
XLogP2.36
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol (CID 163307443) is 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol is OCCn1nc(C2CCOCC2)nc1-c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is YZJIJAFYIKFCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-4-2-1-3-13(14)15-11-16(22-21-15)18-20-17(23-24(18)7-8-25)12-5-9-26-10-6-12/h1-4,11-12,25H,5-10H2,(H,21,22).
What are the key properties of 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 357.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 163307443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).