methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate

C9H15N3O4S — CID 61274855

IUPACmethyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
SMILESCOC(=O)CCCNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O4S/c1-7-8(6-10-12-7)17(14,15)11-5-3-4-9(13)16-2/h6,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyODQWMSSMWZPRMM-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.05
Rot. Bonds6

About methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate

methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate (PubChem CID 61274855) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
PubChem CID61274855
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Namemethyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate
SMILESCOC(=O)CCCNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O4S/c1-7-8(6-10-12-7)17(14,15)11-5-3-4-9(13)16-2/h6,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyODQWMSSMWZPRMM-UHFFFAOYSA-N
XLogP-0.05
TPSA101.15 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

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107271218
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
5-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 104600711
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 115621420
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 115427439
N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54903976
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate?
The IUPAC name of methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate (CID 61274855) is methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate.
What is the SMILES notation for methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate?
The canonical SMILES for methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate is COC(=O)CCCNS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate?
The InChIKey is ODQWMSSMWZPRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-7-8(6-10-12-7)17(14,15)11-5-3-4-9(13)16-2/h6,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate?
methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate 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 methyl 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoate is sourced from PubChem (CID 61274855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).