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

C16H12F2N2O — CID 5002414

IUPAC[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1
InChIInChI=1S/C16H12F2N2O/c17-13-6-7-15(14(18)8-13)20-9-12(10-21)16(19-20)11-4-2-1-3-5-11/h1-9,21H,10H2
InChIKeyWYKYUMGLXIZTMK-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.31
Rot. Bonds3

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

[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol (PubChem CID 5002414) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
PubChem CID5002414
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1
InChIInChI=1S/C16H12F2N2O/c17-13-6-7-15(14(18)8-13)20-9-12(10-21)16(19-20)11-4-2-1-3-5-11/h1-9,21H,10H2
InChIKeyWYKYUMGLXIZTMK-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol (CID 5002414) is [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1.
What is the InChIKey of [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol?
The InChIKey is WYKYUMGLXIZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-13-6-7-15(14(18)8-13)20-9-12(10-21)16(19-20)11-4-2-1-3-5-11/h1-9,21H,10H2.
What are the key properties of [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol?
[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol has a molecular weight of 286.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 5002414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).