2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid

C12H14N4O4S — CID 43523013

IUPAC2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1cccnc1
InChIInChI=1S/C12H14N4O4S/c1-9(10-3-2-4-13-5-10)15-21(19,20)11-6-14-16(7-11)8-12(17)18/h2-7,9,15H,8H2,1H3,(H,17,18)
InChIKeyZSVMIPRQWQLKIG-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.40
Rot. Bonds6

About 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43523013) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43523013
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1cccnc1
InChIInChI=1S/C12H14N4O4S/c1-9(10-3-2-4-13-5-10)15-21(19,20)11-6-14-16(7-11)8-12(17)18/h2-7,9,15H,8H2,1H3,(H,17,18)
InChIKeyZSVMIPRQWQLKIG-UHFFFAOYSA-N
XLogP0.40
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(5-methylfuran-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43706147
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43523013) is 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid is CC(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1cccnc1.
What is the InChIKey of 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is ZSVMIPRQWQLKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-9(10-3-2-4-13-5-10)15-21(19,20)11-6-14-16(7-11)8-12(17)18/h2-7,9,15H,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 310.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43523013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).