[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol

C22H17FN2O — CID 12071863

IUPAC[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(-c2ccccc2F)n(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H17FN2O/c23-21-9-5-4-8-20(21)22-14-18(15-26)24-25(22)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14,26H,15H2
InChIKeyLWUGAKFCCCASJR-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.84
Rot. Bonds4

About [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol

[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol (PubChem CID 12071863) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol
PubChem CID12071863
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(-c2ccccc2F)n(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H17FN2O/c23-21-9-5-4-8-20(21)22-14-18(15-26)24-25(22)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14,26H,15H2
InChIKeyLWUGAKFCCCASJR-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol (CID 12071863) is [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol is OCc1cc(-c2ccccc2F)n(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol?
The InChIKey is LWUGAKFCCCASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c23-21-9-5-4-8-20(21)22-14-18(15-26)24-25(22)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14,26H,15H2.
What are the key properties of [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol?
[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol has a molecular weight of 344.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 12071863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).