2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid

C10H15N3O5S — CID 43542000

IUPAC2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCC1COCCN1S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H15N3O5S/c1-8-7-18-3-2-13(8)19(16,17)9-4-11-12(5-9)6-10(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyBRGXGIRNZDFAFT-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.62
Rot. Bonds4

About 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid

2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 43542000) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID43542000
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCC1COCCN1S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H15N3O5S/c1-8-7-18-3-2-13(8)19(16,17)9-4-11-12(5-9)6-10(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyBRGXGIRNZDFAFT-UHFFFAOYSA-N
XLogP-0.62
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
CID 93044965
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide
CID 95867516
3-[4-(2,5-dimethylmorpholin-4-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 43544547
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 94895656
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121
4-(3-methylmorpholin-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644635
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 79675332
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid (CID 43542000) is 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid is CC1COCCN1S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is BRGXGIRNZDFAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-8-7-18-3-2-13(8)19(16,17)9-4-11-12(5-9)6-10(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 289.31 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 43542000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).