4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid

C10H17N3O4S — CID 106032725

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
SMILESCc1c(CNS(=O)(=O)CCCC(=O)O)cnn1C
InChIInChI=1S/C10H17N3O4S/c1-8-9(6-11-13(8)2)7-12-18(16,17)5-3-4-10(14)15/h6,12H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyTYTPOLMJSDAQJR-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.01
Rot. Bonds7

About 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid

4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid (PubChem CID 106032725) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
PubChem CID106032725
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
SMILESCc1c(CNS(=O)(=O)CCCC(=O)O)cnn1C
InChIInChI=1S/C10H17N3O4S/c1-8-9(6-11-13(8)2)7-12-18(16,17)5-3-4-10(14)15/h6,12H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyTYTPOLMJSDAQJR-UHFFFAOYSA-N
XLogP0.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106094917
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106037879
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide
CID 106043862
4-[(4-methyl-2-methylsulfanylphenyl)methylsulfamoyl]butanoic acid
CID 166239309
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106032772

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid (CID 106032725) is 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid is Cc1c(CNS(=O)(=O)CCCC(=O)O)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid?
The InChIKey is TYTPOLMJSDAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-8-9(6-11-13(8)2)7-12-18(16,17)5-3-4-10(14)15/h6,12H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid?
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 106032725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).