N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

C10H16N4O4S — CID 147728203

IUPACN-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1
InChIInChI=1S/C10H16N4O4S/c1-7(2)9(15)14-19(17,18)6-5-11-10(16)8-3-4-12-13-8/h3-4,7H,5-6H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyGXXCEVSLCYTRKR-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.76
Rot. Bonds6

About N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 147728203) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID147728203
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1
InChIInChI=1S/C10H16N4O4S/c1-7(2)9(15)14-19(17,18)6-5-11-10(16)8-3-4-12-13-8/h3-4,7H,5-6H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyGXXCEVSLCYTRKR-UHFFFAOYSA-N
XLogP-0.76
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (CID 147728203) is N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GXXCEVSLCYTRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-7(2)9(15)14-19(17,18)6-5-11-10(16)8-3-4-12-13-8/h3-4,7H,5-6H2,1-2H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 147728203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).