2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid

C13H16N4O6S — CID 120696360

IUPAC2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)o1
InChIInChI=1S/C13H16N4O6S/c1-13(2,12(19)20)17-7-8(6-15-17)16-11(18)9-4-5-10(23-9)24(21,22)14-3/h4-7,14H,1-3H3,(H,16,18)(H,19,20)
InChIKeyHGLPMZNVHFKCJK-UHFFFAOYSA-N
MW356.36 g/mol
LogP0.46
Rot. Bonds6

About 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120696360) has the molecular formula C13H16N4O6S and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120696360
Molecular FormulaC13H16N4O6S
Molecular Weight356.36 g/mol
Exact Mass356.08
IUPAC Name2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)o1
InChIInChI=1S/C13H16N4O6S/c1-13(2,12(19)20)17-7-8(6-15-17)16-11(18)9-4-5-10(23-9)24(21,22)14-3/h4-7,14H,1-3H3,(H,16,18)(H,19,20)
InChIKeyHGLPMZNVHFKCJK-UHFFFAOYSA-N
XLogP0.46
TPSA143.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[4-[(5-methylsulfonylfuran-2-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696515
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
2-methyl-2-[4-[[3-(sulfamoylmethyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696781
2-methyl-2-[4-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696974
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid (CID 120696360) is 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid is CNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)o1.
What is the InChIKey of 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is HGLPMZNVHFKCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O6S/c1-13(2,12(19)20)17-7-8(6-15-17)16-11(18)9-4-5-10(23-9)24(21,22)14-3/h4-7,14H,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 356.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120696360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).