2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C15H19N5O5S — CID 2514702

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O5S/c1-10-15(20(22)23)11(2)19(17-10)9-14(21)16-12-5-7-13(8-6-12)26(24,25)18(3)4/h5-8H,9H2,1-4H3,(H,16,21)
InChIKeyLLIHUYBAJPROKX-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.30
Rot. Bonds6

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 2514702) has the molecular formula C15H19N5O5S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID2514702
Molecular FormulaC15H19N5O5S
Molecular Weight381.41 g/mol
Exact Mass381.11
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O5S/c1-10-15(20(22)23)11(2)19(17-10)9-14(21)16-12-5-7-13(8-6-12)26(24,25)18(3)4/h5-8H,9H2,1-4H3,(H,16,21)
InChIKeyLLIHUYBAJPROKX-UHFFFAOYSA-N
XLogP1.30
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 2514702) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is LLIHUYBAJPROKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5S/c1-10-15(20(22)23)11(2)19(17-10)9-14(21)16-12-5-7-13(8-6-12)26(24,25)18(3)4/h5-8H,9H2,1-4H3,(H,16,21).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2514702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).