4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid

C9H15N3O4S — CID 63302413

IUPAC4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
SMILESCn1nccc1CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H15N3O4S/c1-12-8(4-5-10-12)7-11-17(15,16)6-2-3-9(13)14/h4-5,11H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyQRVOALISCFVIQW-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.30
Rot. Bonds7

About 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid

4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid (PubChem CID 63302413) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
PubChem CID63302413
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
SMILESCn1nccc1CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H15N3O4S/c1-12-8(4-5-10-12)7-11-17(15,16)6-2-3-9(13)14/h4-5,11H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyQRVOALISCFVIQW-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
CID 106032725
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
CID 106003812
6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
4-[(3-ethyl-2-pyridinyl)methylsulfamoyl]butanoic acid
CID 82731751
N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 22207904
4-[(2-methylpyrazol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058245
4-[(2-methylpyrazol-3-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 63303204

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid (CID 63302413) is 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid is Cn1nccc1CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid?
The InChIKey is QRVOALISCFVIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-12-8(4-5-10-12)7-11-17(15,16)6-2-3-9(13)14/h4-5,11H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid?
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 63302413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).