1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol

C19H19FN2O — CID 166320415

IUPAC1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C19H19FN2O/c1-19(2,23)13-22-12-16(11-21-22)14-7-9-15(10-8-14)17-5-3-4-6-18(17)20/h3-12,23H,13H2,1-2H3
InChIKeyVHPRYSDDEANAAR-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.13
Rot. Bonds4

About 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 166320415) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID166320415
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C19H19FN2O/c1-19(2,23)13-22-12-16(11-21-22)14-7-9-15(10-8-14)17-5-3-4-6-18(17)20/h3-12,23H,13H2,1-2H3
InChIKeyVHPRYSDDEANAAR-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 166320415) is 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2ccc(-c3ccccc3F)cc2)cn1.
What is the InChIKey of 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is VHPRYSDDEANAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-19(2,23)13-22-12-16(11-21-22)14-7-9-15(10-8-14)17-5-3-4-6-18(17)20/h3-12,23H,13H2,1-2H3.
What are the key properties of 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 310.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166320415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).