2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid

C10H16N4O5S — CID 43578551

IUPAC2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H16N4O5S/c1-3-11-10(17)7(2)13-20(18,19)8-4-12-14(5-8)6-9(15)16/h4-5,7,13H,3,6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyBNFAOLUSCGWFLE-UHFFFAOYSA-N
MW304.33 g/mol
LogP-1.23
Rot. Bonds7

About 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43578551) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43578551
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H16N4O5S/c1-3-11-10(17)7(2)13-20(18,19)8-4-12-14(5-8)6-9(15)16/h4-5,7,13H,3,6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyBNFAOLUSCGWFLE-UHFFFAOYSA-N
XLogP-1.23
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 113495559
2-[4-[1-(5-methylfuran-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43706147
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid (CID 43578551) is 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid is CCNC(=O)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is BNFAOLUSCGWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-3-11-10(17)7(2)13-20(18,19)8-4-12-14(5-8)6-9(15)16/h4-5,7,13H,3,6H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 304.33 g/mol, XLogP of -1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43578551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).