5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C11H20N4O3S — CID 65386939

IUPAC5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCC(C)C)c1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-7(2)5-4-6-13-11(16)9-10(19(12,17)18)8(3)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyXMJIAJPIFMCWGG-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.53
Rot. Bonds6

About 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65386939) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65386939
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCC(C)C)c1S(N)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-7(2)5-4-6-13-11(16)9-10(19(12,17)18)8(3)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyXMJIAJPIFMCWGG-UHFFFAOYSA-N
XLogP0.53
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 113484535
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388989
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387608
5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 65386761
5-methyl-3-[2-(3-methylbutoxy)ethylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65398721
4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62082646
N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387454
butan-2-yl 5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382029

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65386939) is 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCCC(C)C)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is XMJIAJPIFMCWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-7(2)5-4-6-13-11(16)9-10(19(12,17)18)8(3)14-15-9/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65386939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).