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'}

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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).