[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol

C26H25FN2O4S — CID 19355488

IUPAC[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(CCc3ccccc3)c2CO)cc1F
InChIInChI=1S/C26H25FN2O4S/c1-33-24-13-10-20(16-22(24)27)25-23(17-30)29(15-14-18-6-4-3-5-7-18)28-26(25)19-8-11-21(12-9-19)34(2,31)32/h3-13,16,30H,14-15,17H2,1-2H3
InChIKeyGYZKFIZYFXFMKS-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.50
Rot. Bonds8

About [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol

[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol (PubChem CID 19355488) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol
PubChem CID19355488
Molecular FormulaC26H25FN2O4S
Molecular Weight480.56 g/mol
Exact Mass480.15
IUPAC Name[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol
SMILESCOc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(CCc3ccccc3)c2CO)cc1F
InChIInChI=1S/C26H25FN2O4S/c1-33-24-13-10-20(16-22(24)27)25-23(17-30)29(15-14-18-6-4-3-5-7-18)28-26(25)19-8-11-21(12-9-19)34(2,31)32/h3-13,16,30H,14-15,17H2,1-2H3
InChIKeyGYZKFIZYFXFMKS-UHFFFAOYSA-N
XLogP4.50
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol?
The IUPAC name of [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol (CID 19355488) is [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol is COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(CCc3ccccc3)c2CO)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol?
The InChIKey is GYZKFIZYFXFMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c1-33-24-13-10-20(16-22(24)27)25-23(17-30)29(15-14-18-6-4-3-5-7-18)28-26(25)19-8-11-21(12-9-19)34(2,31)32/h3-13,16,30H,14-15,17H2,1-2H3.
What are the key properties of [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol?
[4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol has a molecular weight of 480.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 19355488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).