4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine

C11H12BrN3O2S — CID 84608772

IUPAC4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-c2[nH]nc(N)c2Br)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-2-18(16,17)8-5-3-7(4-6-8)10-9(12)11(13)15-14-10/h3-6H,2H2,1H3,(H3,13,14,15)
InChIKeyYGKYSQCFVKQPQY-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.21
Rot. Bonds3

About 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine

4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine (PubChem CID 84608772) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine
PubChem CID84608772
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine
SMILESCCS(=O)(=O)c1ccc(-c2[nH]nc(N)c2Br)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-2-18(16,17)8-5-3-7(4-6-8)10-9(12)11(13)15-14-10/h3-6H,2H2,1H3,(H3,13,14,15)
InChIKeyYGKYSQCFVKQPQY-UHFFFAOYSA-N
XLogP2.21
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486720
4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 83913416
[3-(4-ethylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 82487034
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 82479753
2-[4-(4-ethylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4269847
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
6-[2-amino-5-(4-ethylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 70655199
4-ethylsulfonyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68723068
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine
CID 79404846

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine (CID 84608772) is 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine is CCS(=O)(=O)c1ccc(-c2[nH]nc(N)c2Br)cc1.
What is the InChIKey of 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine?
The InChIKey is YGKYSQCFVKQPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-2-18(16,17)8-5-3-7(4-6-8)10-9(12)11(13)15-14-10/h3-6H,2H2,1H3,(H3,13,14,15).
What are the key properties of 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine?
4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine has a molecular weight of 330.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 84608772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).