3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide

C23H20N4O5S — CID 59448699

IUPAC3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(O)cc(C(=O)Nc3ccn(Cc4cccnc4)n3)c2)cc1
InChIInChI=1S/C23H20N4O5S/c1-33(30,31)21-6-4-19(5-7-21)32-20-12-17(11-18(28)13-20)23(29)25-22-8-10-27(26-22)15-16-3-2-9-24-14-16/h2-14,28H,15H2,1H3,(H,25,26,29)
InChIKeyLZLLZKRMSSCHJI-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.48
Rot. Bonds7

About 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide

3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 59448699) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID59448699
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(O)cc(C(=O)Nc3ccn(Cc4cccnc4)n3)c2)cc1
InChIInChI=1S/C23H20N4O5S/c1-33(30,31)21-6-4-19(5-7-21)32-20-12-17(11-18(28)13-20)23(29)25-22-8-10-27(26-22)15-16-3-2-9-24-14-16/h2-14,28H,15H2,1H3,(H,25,26,29)
InChIKeyLZLLZKRMSSCHJI-UHFFFAOYSA-N
XLogP3.48
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
CID 47089669
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
N-(1-acetamidopyrazol-3-yl)-3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)benzamide
CID 77107473
N-[1-[[ethoxy(methyl)phosphoryl]methyl]pyrazol-3-yl]-3-[(2S)-4-hydroxybutan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzamide
CID 58266185
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
3-(1-hydroxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(2H-triazol-4-yl)benzamide
CID 23093083
3-[4-(dimethylsulfamoyl)phenoxy]-N-(1-ethylpyrazol-3-yl)-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 140540583

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide (CID 59448699) is 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide is CS(=O)(=O)c1ccc(Oc2cc(O)cc(C(=O)Nc3ccn(Cc4cccnc4)n3)c2)cc1.
What is the InChIKey of 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is LZLLZKRMSSCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-33(30,31)21-6-4-19(5-7-21)32-20-12-17(11-18(28)13-20)23(29)25-22-8-10-27(26-22)15-16-3-2-9-24-14-16/h2-14,28H,15H2,1H3,(H,25,26,29).
What are the key properties of 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide?
3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 464.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-methylsulfonylphenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 59448699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).