2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid

C11H19N3O5S — CID 62518576

IUPAC2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCC(CC)(CO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O5S/c1-3-11(4-2,8-15)13-20(18,19)9-5-12-14(6-9)7-10(16)17/h5-6,13,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyNUFGXGJKLAADDO-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.20
Rot. Bonds8

About 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 62518576) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID62518576
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCC(CC)(CO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O5S/c1-3-11(4-2,8-15)13-20(18,19)9-5-12-14(6-9)7-10(16)17/h5-6,13,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyNUFGXGJKLAADDO-UHFFFAOYSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 113495559
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid (CID 62518576) is 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid is CCC(CC)(CO)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is NUFGXGJKLAADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-3-11(4-2,8-15)13-20(18,19)9-5-12-14(6-9)7-10(16)17/h5-6,13,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 62518576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).