2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide

C14H16BrN3O4S — CID 19517975

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2ncc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3O4S/c1-3-23(21,22)10-4-5-13(19)12(6-10)17-14(20)8-18-9(2)11(15)7-16-18/h4-7,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyDOZNDMDDVIPDRU-UHFFFAOYSA-N
MW402.27 g/mol
LogP2.09
Rot. Bonds5

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide (PubChem CID 19517975) has the molecular formula C14H16BrN3O4S and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
PubChem CID19517975
Molecular FormulaC14H16BrN3O4S
Molecular Weight402.27 g/mol
Exact Mass401.00
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2ncc(Br)c2C)c1
InChIInChI=1S/C14H16BrN3O4S/c1-3-23(21,22)10-4-5-13(19)12(6-10)17-14(20)8-18-9(2)11(15)7-16-18/h4-7,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyDOZNDMDDVIPDRU-UHFFFAOYSA-N
XLogP2.09
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 52661626
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 681601
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 19551944
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522376
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477146
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)quinoline-4-carboxamide
CID 19512302
2-(4-bromo-5-methylpyrazol-1-yl)acetate
CID 7015020

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide (CID 19517975) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2ncc(Br)c2C)c1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The InChIKey is DOZNDMDDVIPDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O4S/c1-3-23(21,22)10-4-5-13(19)12(6-10)17-14(20)8-18-9(2)11(15)7-16-18/h4-7,19H,3,8H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide has a molecular weight of 402.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 19517975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).