[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol

C17H15BrN2O3S — CID 86584958

IUPAC[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-24(22,23)16-8-6-15(7-9-16)20-17(10-14(11-21)19-20)12-2-4-13(18)5-3-12/h2-10,21H,11H2,1H3
InChIKeyKPPJWFGYASAHIU-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.20
Rot. Bonds4

About [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol

[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 86584958) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID86584958
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC Name[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-24(22,23)16-8-6-15(7-9-16)20-17(10-14(11-21)19-20)12-2-4-13(18)5-3-12/h2-10,21H,11H2,1H3
InChIKeyKPPJWFGYASAHIU-UHFFFAOYSA-N
XLogP3.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
CID 52951388
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl methanesulfonate
CID 102024342
3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
CID 10251337
4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline
CID 19886132
1-[[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl]-3-phenylurea
CID 52951487
N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline
CID 19886219
4-[5-(3,5-dichloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315586
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
CID 11471651
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
CID 10735976
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 86584958) is [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is KPPJWFGYASAHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-24(22,23)16-8-6-15(7-9-16)20-17(10-14(11-21)19-20)12-2-4-13(18)5-3-12/h2-10,21H,11H2,1H3.
What are the key properties of [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 407.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 86584958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).