4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol

C27H19FN2O2 — CID 135693348

IUPAC4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol
SMILESOc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H19FN2O2/c28-21-7-4-8-22(17-21)30-27(20-11-15-24(32)16-12-20)25(18-5-2-1-3-6-18)26(29-30)19-9-13-23(31)14-10-19/h1-17,31-32H
InChIKeyVELIPHSRQDDWTN-UHFFFAOYSA-N
MW422.46 g/mol
LogP6.42
Rot. Bonds4

About 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol

4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol (PubChem CID 135693348) has the molecular formula C27H19FN2O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol
PubChem CID135693348
Molecular FormulaC27H19FN2O2
Molecular Weight422.46 g/mol
Exact Mass422.14
IUPAC Name4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol
SMILESOc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C27H19FN2O2/c28-21-7-4-8-22(17-21)30-27(20-11-15-24(32)16-12-20)25(18-5-2-1-3-6-18)26(29-30)19-9-13-23(31)14-10-19/h1-17,31-32H
InChIKeyVELIPHSRQDDWTN-UHFFFAOYSA-N
XLogP6.42
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol?
The IUPAC name of 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol (CID 135693348) is 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol is Oc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol?
The InChIKey is VELIPHSRQDDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O2/c28-21-7-4-8-22(17-21)30-27(20-11-15-24(32)16-12-20)25(18-5-2-1-3-6-18)26(29-30)19-9-13-23(31)14-10-19/h1-17,31-32H.
What are the key properties of 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol?
4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol has a molecular weight of 422.46 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 135693348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).