4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid

C9H15N3O4S — CID 43361582

IUPAC4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O4S/c1-11-7-8(6-10-11)17(15,16)12(2)5-3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyJXXDZZNUYOVFHE-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.09
Rot. Bonds6

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

4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 43361582) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
PubChem CID43361582
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O4S/c1-11-7-8(6-10-11)17(15,16)12(2)5-3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyJXXDZZNUYOVFHE-UHFFFAOYSA-N
XLogP-0.09
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 43294368
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43244916
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090602
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid (CID 43361582) is 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is JXXDZZNUYOVFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-11-7-8(6-10-11)17(15,16)12(2)5-3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43361582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).