N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide

C17H21N5O6S — CID 83282069

IUPACN-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
SMILESCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC2CC2)nn1C
InChIInChI=1S/C17H21N5O6S/c1-3-8-18-29(26,27)15-9-12(22(24)25)6-7-14(15)28-16-10-13(20-21(16)2)17(23)19-11-4-5-11/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,19,23)
InChIKeyBNXGITLSPZZZMI-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.70
Rot. Bonds9

About N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide

N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide (PubChem CID 83282069) has the molecular formula C17H21N5O6S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
PubChem CID83282069
Molecular FormulaC17H21N5O6S
Molecular Weight423.45 g/mol
Exact Mass423.12
IUPAC NameN-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
SMILESCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC2CC2)nn1C
InChIInChI=1S/C17H21N5O6S/c1-3-8-18-29(26,27)15-9-12(22(24)25)6-7-14(15)28-16-10-13(20-21(16)2)17(23)19-11-4-5-11/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,19,23)
InChIKeyBNXGITLSPZZZMI-UHFFFAOYSA-N
XLogP1.70
TPSA145.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
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 N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-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

5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 83280559
1-methyl-N-(2-methylpropyl)-5-[2-(2-methylpropylsulfamoyl)-4-nitrophenoxy]pyrazole-3-carboxamide
CID 83280414
1-tert-butyl-N-cyclopropyl-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
CID 83285887
5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 83283955
N-cyclopropyl-1-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
CID 91633508
N-[(2R)-butan-2-yl]-2-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]oxy-5-nitrobenzenesulfonamide
CID 97473305
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176
2-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]oxy-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 83285609
5-[2-(butan-2-ylsulfamoyl)-4-nitrophenoxy]-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 91633444
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-tert-butyl-N-cyclopropyl-4-methylpyrazole-3-carboxamide
CID 97473392
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-1-(4-methylphenyl)-N-propylpyrazole-3-carboxamide
CID 83281869
1-(2,3-dimethylphenyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]-N-propan-2-ylpyrazole-3-carboxamide
CID 83282061

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide (CID 83282069) is N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide is CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC2CC2)nn1C.
What is the InChIKey of N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide?
The InChIKey is BNXGITLSPZZZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O6S/c1-3-8-18-29(26,27)15-9-12(22(24)25)6-7-14(15)28-16-10-13(20-21(16)2)17(23)19-11-4-5-11/h6-7,9-11,18H,3-5,8H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide?
N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide is sourced from PubChem (CID 83282069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).