3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid

C9H15N3O4S — CID 104709744

IUPAC3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
SMILESCCC(CC(=O)O)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O4S/c1-3-7(6-9(13)14)11-17(15,16)8-4-5-10-12(8)2/h4-5,7,11H,3,6H2,1-2H3,(H,13,14)
InChIKeyHIWARSANXOEETN-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.05
Rot. Bonds6

About 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid

3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid (PubChem CID 104709744) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
PubChem CID104709744
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
SMILESCCC(CC(=O)O)NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O4S/c1-3-7(6-9(13)14)11-17(15,16)8-4-5-10-12(8)2/h4-5,7,11H,3,6H2,1-2H3,(H,13,14)
InChIKeyHIWARSANXOEETN-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
3-hydroxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709498
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
(2S)-5-ethoxy-2-[(2-methylpyrazol-3-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039415
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-(1-hydroxy-4-methylpentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773051

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid (CID 104709744) is 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid is CCC(CC(=O)O)NS(=O)(=O)c1ccnn1C.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
The InChIKey is HIWARSANXOEETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-7(6-9(13)14)11-17(15,16)8-4-5-10-12(8)2/h4-5,7,11H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid?
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104709744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).