[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol

C24H21FN2O2 — CID 69423063

IUPAC[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c25-22-10-8-20(9-11-22)24-21(16-28)15-27(26-24)14-18-6-12-23(13-7-18)29-17-19-4-2-1-3-5-19/h1-13,15,28H,14,16-17H2
InChIKeyONDXJEYGLYHVSO-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.81
Rot. Bonds7

About [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol

[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 69423063) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID69423063
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c25-22-10-8-20(9-11-22)24-21(16-28)15-27(26-24)14-18-6-12-23(13-7-18)29-17-19-4-2-1-3-5-19/h1-13,15,28H,14,16-17H2
InChIKeyONDXJEYGLYHVSO-UHFFFAOYSA-N
XLogP4.81
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
CID 141039468
3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159832
3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69422622
[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
CID 23025097
2-[3-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 118375206
2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol
CID 67014710
3-[3-phenyl-1-[[4-[(5-phenyl-3-pyridinyl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69421747
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873
3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
CID 67014846
[1-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 69422251
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol (CID 69423063) is [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol is OCc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is ONDXJEYGLYHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-22-10-8-20(9-11-22)24-21(16-28)15-27(26-24)14-18-6-12-23(13-7-18)29-17-19-4-2-1-3-5-19/h1-13,15,28H,14,16-17H2.
What are the key properties of [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol?
[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 388.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 69423063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).