1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol

C17H14F2N2O — CID 91125995

IUPAC1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol
SMILESCC(O)c1nn(-c2cc(F)ccc2F)cc1-c1ccccc1
InChIInChI=1S/C17H14F2N2O/c1-11(22)17-14(12-5-3-2-4-6-12)10-21(20-17)16-9-13(18)7-8-15(16)19/h2-11,22H,1H3
InChIKeyQUNOADLIIIXVRA-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.87
Rot. Bonds3

About 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol

1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol (PubChem CID 91125995) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol
PubChem CID91125995
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol
SMILESCC(O)c1nn(-c2cc(F)ccc2F)cc1-c1ccccc1
InChIInChI=1S/C17H14F2N2O/c1-11(22)17-14(12-5-3-2-4-6-12)10-21(20-17)16-9-13(18)7-8-15(16)19/h2-11,22H,1H3
InChIKeyQUNOADLIIIXVRA-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
The IUPAC name of 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol (CID 91125995) is 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol is CC(O)c1nn(-c2cc(F)ccc2F)cc1-c1ccccc1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
The InChIKey is QUNOADLIIIXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-11(22)17-14(12-5-3-2-4-6-12)10-21(20-17)16-9-13(18)7-8-15(16)19/h2-11,22H,1H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol?
1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol has a molecular weight of 300.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)-4-phenylpyrazol-3-yl]ethanol is sourced from PubChem (CID 91125995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).