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

C10H12N4O5S — CID 79675332

IUPAC2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESN#CC1CN(S(=O)(=O)c2cnn(CC(=O)O)c2)CCO1
InChIInChI=1S/C10H12N4O5S/c11-3-8-5-14(1-2-19-8)20(17,18)9-4-12-13(6-9)7-10(15)16/h4,6,8H,1-2,5,7H2,(H,15,16)
InChIKeyLJVRNTLGBCRBSS-UHFFFAOYSA-N
MW300.30 g/mol
LogP-1.12
Rot. Bonds4

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

2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 79675332) has the molecular formula C10H12N4O5S and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID79675332
Molecular FormulaC10H12N4O5S
Molecular Weight300.30 g/mol
Exact Mass300.05
IUPAC Name2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESN#CC1CN(S(=O)(=O)c2cnn(CC(=O)O)c2)CCO1
InChIInChI=1S/C10H12N4O5S/c11-3-8-5-14(1-2-19-8)20(17,18)9-4-12-13(6-9)7-10(15)16/h4,6,8H,1-2,5,7H2,(H,15,16)
InChIKeyLJVRNTLGBCRBSS-UHFFFAOYSA-N
XLogP-1.12
TPSA125.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 94895656
2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 61403798
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
3-[4-[2-(hydroxymethyl)morpholin-4-yl]sulfonylpyrazol-1-yl]propanoic acid
CID 81193748
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43542000
2-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylmorpholin-2-yl]acetic acid
CID 166239342

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid (CID 79675332) is 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid is N#CC1CN(S(=O)(=O)c2cnn(CC(=O)O)c2)CCO1.
What is the InChIKey of 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is LJVRNTLGBCRBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5S/c11-3-8-5-14(1-2-19-8)20(17,18)9-4-12-13(6-9)7-10(15)16/h4,6,8H,1-2,5,7H2,(H,15,16).
What are the key properties of 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 300.30 g/mol, XLogP of -1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 79675332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).