5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid

C9H15N3O4S — CID 62033979

IUPAC5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCn1cc(S(=O)(=O)NCCCCC(=O)O)cn1
InChIInChI=1S/C9H15N3O4S/c1-12-7-8(6-10-12)17(15,16)11-5-3-2-4-9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyCZKIRZMUNIBBCM-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.05
Rot. Bonds7

About 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid

5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid (PubChem CID 62033979) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
PubChem CID62033979
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCn1cc(S(=O)(=O)NCCCCC(=O)O)cn1
InChIInChI=1S/C9H15N3O4S/c1-12-7-8(6-10-12)17(15,16)11-5-3-2-4-9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyCZKIRZMUNIBBCM-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid (CID 62033979) is 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid is Cn1cc(S(=O)(=O)NCCCCC(=O)O)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The InChIKey is CZKIRZMUNIBBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-12-7-8(6-10-12)17(15,16)11-5-3-2-4-9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 62033979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).