5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C11H20N4O3S — CID 65388989

IUPAC5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(C)c1S(N)(=O)=O)C(C)C
InChIInChI=1S/C11H20N4O3S/c1-5-8(6(2)3)13-11(16)9-10(19(12,17)18)7(4)14-15-9/h6,8H,5H2,1-4H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeySNILJQNENULECN-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.53
Rot. Bonds5

About 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65388989) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65388989
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(C)c1S(N)(=O)=O)C(C)C
InChIInChI=1S/C11H20N4O3S/c1-5-8(6(2)3)13-11(16)9-10(19(12,17)18)7(4)14-15-9/h6,8H,5H2,1-4H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeySNILJQNENULECN-UHFFFAOYSA-N
XLogP0.53
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398061
butan-2-yl 5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382029
5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 113484535
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387454
4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 79248265
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65388989) is 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCC(NC(=O)c1n[nH]c(C)c1S(N)(=O)=O)C(C)C.
What is the InChIKey of 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is SNILJQNENULECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-5-8(6(2)3)13-11(16)9-10(19(12,17)18)7(4)14-15-9/h6,8H,5H2,1-4H3,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65388989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).