4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid

C8H13N3O4S — CID 43535077

IUPAC4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid
SMILESCn1cc(NS(=O)(=O)CCCC(=O)O)cn1
InChIInChI=1S/C8H13N3O4S/c1-11-6-7(5-9-11)10-16(14,15)4-2-3-8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeyLAXMKVKMCKDLFQ-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.03
Rot. Bonds6

About 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid

4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid (PubChem CID 43535077) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid
PubChem CID43535077
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid
SMILESCn1cc(NS(=O)(=O)CCCC(=O)O)cn1
InChIInChI=1S/C8H13N3O4S/c1-11-6-7(5-9-11)10-16(14,15)4-2-3-8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13)
InChIKeyLAXMKVKMCKDLFQ-UHFFFAOYSA-N
XLogP0.03
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[4-(4,4,4-trifluorobutylsulfonylamino)pyrazol-1-yl]acetate
CID 83048179
2-[4-(4,4,4-Trifluorobutylsulfonylamino)pyrazol-1-yl]acetic acid
CID 83068765
N-(1-methylpyrazol-4-yl)ethanesulfonamide
CID 60758805
N-(1-propan-2-ylpyrazol-4-yl)ethanesulfonamide
CID 64586691
N-(1-methylpyrazol-4-yl)butane-1-sulfonamide
CID 68984990
[1-[2-(Dimethylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]-2-methylpropan-2-yl]carbamic acid
CID 175270549
[4-(Propylsulfonylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate
CID 3720872
Dimethyl 3-[4-(propylsulfonylamino)pyrazol-1-yl]pentanedioate
CID 3807029
3-[4-[(1-Methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43535057
2-[(1-Methylpyrazol-4-yl)sulfamoyl]acetic acid
CID 43535067
3-[(1-Methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078
3-[4-[(1-Ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43543581

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid (CID 43535077) is 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid is Cn1cc(NS(=O)(=O)CCCC(=O)O)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid?
The InChIKey is LAXMKVKMCKDLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-11-6-7(5-9-11)10-16(14,15)4-2-3-8(12)13/h5-6,10H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid?
4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid has a molecular weight of 247.28 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43535077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).