1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide

C11H14N4O3S — CID 135228971

IUPAC1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(-n2[nH]c(=O)cc2N)cc1
InChIInChI=1S/C11H14N4O3S/c1-13-19(17,18)7-8-2-4-9(5-3-8)15-10(12)6-11(16)14-15/h2-6,13H,7,12H2,1H3,(H,14,16)
InChIKeyURKGNJAAKBIUOR-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.20
Rot. Bonds4

About 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide

1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 135228971) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID135228971
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(-n2[nH]c(=O)cc2N)cc1
InChIInChI=1S/C11H14N4O3S/c1-13-19(17,18)7-8-2-4-9(5-3-8)15-10(12)6-11(16)14-15/h2-6,13H,7,12H2,1H3,(H,14,16)
InChIKeyURKGNJAAKBIUOR-UHFFFAOYSA-N
XLogP-0.20
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10563906
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
1-(3-amino-4-tert-butylphenyl)-N-methylmethanesulfonamide
CID 139784459
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613
2-methyl-1-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110913551
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
CID 157040140
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881896
1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601
1,1,3,3-tetramethyl-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111037892

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide (CID 135228971) is 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(-n2[nH]c(=O)cc2N)cc1.
What is the InChIKey of 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is URKGNJAAKBIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-13-19(17,18)7-8-2-4-9(5-3-8)15-10(12)6-11(16)14-15/h2-6,13H,7,12H2,1H3,(H,14,16).
What are the key properties of 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide?
1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 282.33 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 135228971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).