3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide

C11H12N4O3S — CID 165472831

IUPAC3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1cnn(-c2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C11H12N4O3S/c1-19(17,18)8-5-14-15(6-8)10-3-2-7(11(13)16)4-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyQJGXOUKPOGORED-UHFFFAOYSA-N
MW280.31 g/mol
LogP-0.04
Rot. Bonds3

About 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide

3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide (PubChem CID 165472831) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide
PubChem CID165472831
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1cnn(-c2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C11H12N4O3S/c1-19(17,18)8-5-14-15(6-8)10-3-2-7(11(13)16)4-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyQJGXOUKPOGORED-UHFFFAOYSA-N
XLogP-0.04
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
CID 82999659
[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
CID 165472365
ethyl 3-amino-4-(4-methylpyrazol-1-yl)benzoate
CID 61311701
1-[3-fluoro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
CID 165477513
3-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481001
ethyl 1-(2-amino-4-methoxycarbonylphenyl)pyrazole-4-carboxylate
CID 81494413
5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine
CID 165481641
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
[3-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165480871
1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
CID 64782909
3-methyl-5-(4-methylsulfonylpyrazol-1-yl)aniline
CID 165472756
N'-hydroxy-4-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481074

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide?
The IUPAC name of 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide (CID 165472831) is 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide.
What is the SMILES notation for 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide?
The canonical SMILES for 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide is CS(=O)(=O)c1cnn(-c2ccc(C(N)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide?
The InChIKey is QJGXOUKPOGORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-19(17,18)8-5-14-15(6-8)10-3-2-7(11(13)16)4-9(10)12/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide?
3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide has a molecular weight of 280.31 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide is sourced from PubChem (CID 165472831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).