3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid

C8H13N3O4S — CID 61004286

IUPAC3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H13N3O4S/c1-6-7(4-9-11-6)5-10-16(14,15)3-2-8(12)13/h4,10H,2-3,5H2,1H3,(H,9,11)(H,12,13)
InChIKeyBVGMLQBJVLQFON-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.39
Rot. Bonds6

About 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid

3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid (PubChem CID 61004286) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
PubChem CID61004286
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H13N3O4S/c1-6-7(4-9-11-6)5-10-16(14,15)3-2-8(12)13/h4,10H,2-3,5H2,1H3,(H,9,11)(H,12,13)
InChIKeyBVGMLQBJVLQFON-UHFFFAOYSA-N
XLogP-0.39
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 61004285
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
CID 106032725
2-methyl-2-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 62846720
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 54896768
2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
CID 110836972
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 79530161
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid (CID 61004286) is 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid is Cc1[nH]ncc1CNS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid?
The InChIKey is BVGMLQBJVLQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-6-7(4-9-11-6)5-10-16(14,15)3-2-8(12)13/h4,10H,2-3,5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid?
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid has a molecular weight of 247.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 61004286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).