3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid

C9H15N3O4S — CID 106104161

IUPAC3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
SMILESCn1ccc(CCNS(=O)(=O)CCC(=O)O)n1
InChIInChI=1S/C9H15N3O4S/c1-12-6-3-8(11-12)2-5-10-17(15,16)7-4-9(13)14/h3,6,10H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyPSWGXIXJFRHNLQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.64
Rot. Bonds7

About 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid

3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid (PubChem CID 106104161) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
PubChem CID106104161
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
SMILESCn1ccc(CCNS(=O)(=O)CCC(=O)O)n1
InChIInChI=1S/C9H15N3O4S/c1-12-6-3-8(11-12)2-5-10-17(15,16)7-4-9(13)14/h3,6,10H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyPSWGXIXJFRHNLQ-UHFFFAOYSA-N
XLogP-0.64
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 ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
CID 104626602
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid
CID 175976153
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
(E)-3-[2-(1-methylpyrazol-3-yl)ethylamino]prop-2-enoic acid
CID 106105572
1-amino-4-(1-methylpyrazol-3-yl)butan-2-one
CID 82413753
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid (CID 106104161) is 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid is Cn1ccc(CCNS(=O)(=O)CCC(=O)O)n1.
What is the InChIKey of 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid?
The InChIKey is PSWGXIXJFRHNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-12-6-3-8(11-12)2-5-10-17(15,16)7-4-9(13)14/h3,6,10H,2,4-5,7H2,1H3,(H,13,14).
What are the key properties of 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid?
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 106104161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).