5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

C17H21N5O6S — CID 83280559

IUPAC5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)n(C)n1
InChIInChI=1S/C17H21N5O6S/c1-10(2)18-17(23)13-9-16(21(3)19-13)28-14-7-6-12(22(24)25)8-15(14)29(26,27)20-11-4-5-11/h6-11,20H,4-5H2,1-3H3,(H,18,23)
InChIKeyJSJZTBOLRHLMID-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.70
Rot. Bonds8

About 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 83280559) has the molecular formula C17H21N5O6S and a molecular weight of 423.45 g/mol. Its IUPAC name is 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID83280559
Molecular FormulaC17H21N5O6S
Molecular Weight423.45 g/mol
Exact Mass423.12
IUPAC Name5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)n(C)n1
InChIInChI=1S/C17H21N5O6S/c1-10(2)18-17(23)13-9-16(21(3)19-13)28-14-7-6-12(22(24)25)8-15(14)29(26,27)20-11-4-5-11/h6-11,20H,4-5H2,1-3H3,(H,18,23)
InChIKeyJSJZTBOLRHLMID-UHFFFAOYSA-N
XLogP1.70
TPSA145.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide 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-methyl-N-(2-methylpropyl)-5-[2-(2-methylpropylsulfamoyl)-4-nitrophenoxy]pyrazole-3-carboxamide
CID 83280414
N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
CID 83282069
2-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]oxy-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 83285609
N-[(2R)-butan-2-yl]-2-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]oxy-5-nitrobenzenesulfonamide
CID 97473305
5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 83283955
5-[2-(butan-2-ylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 91633444
N-butan-2-yl-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-(2,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide
CID 83280957
N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
CID 91633508
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-1-(4-methylphenyl)-N-propylpyrazole-3-carboxamide
CID 83281869
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-N-(4-fluorophenyl)-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 83277458
1-tert-butyl-5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 71958983
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-4-methylpyrazole-3-carboxamide
CID 83283952

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 83280559) is 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is CC(C)NC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC2CC2)n(C)n1.
What is the InChIKey of 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is JSJZTBOLRHLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O6S/c1-10(2)18-17(23)13-9-16(21(3)19-13)28-14-7-6-12(22(24)25)8-15(14)29(26,27)20-11-4-5-11/h6-11,20H,4-5H2,1-3H3,(H,18,23).
What are the key properties of 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 83280559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).