2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid

C12H20N4O4S — CID 43511064

IUPAC2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCN1CCCC1CNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H20N4O4S/c1-2-15-5-3-4-10(15)6-14-21(19,20)11-7-13-16(8-11)9-12(17)18/h7-8,10,14H,2-6,9H2,1H3,(H,17,18)
InChIKeyAOFPTVHDSKXRQF-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.27
Rot. Bonds7

About 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511064) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511064
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCN1CCCC1CNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H20N4O4S/c1-2-15-5-3-4-10(15)6-14-21(19,20)11-7-13-16(8-11)9-12(17)18/h7-8,10,14H,2-6,9H2,1H3,(H,17,18)
InChIKeyAOFPTVHDSKXRQF-UHFFFAOYSA-N
XLogP-0.27
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 106019277
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106094798
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid (CID 43511064) is 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid is CCN1CCCC1CNS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is AOFPTVHDSKXRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-2-15-5-3-4-10(15)6-14-21(19,20)11-7-13-16(8-11)9-12(17)18/h7-8,10,14H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).