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

C10H15N3O5S — CID 43510998

IUPAC2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCC1CN(S(=O)(=O)c2cnn(CC(=O)O)c2)CCO1
InChIInChI=1S/C10H15N3O5S/c1-8-5-13(2-3-18-8)19(16,17)9-4-11-12(6-9)7-10(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyHTWUZFKTIPZJEC-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.62
Rot. Bonds4

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

2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 43510998) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID43510998
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCC1CN(S(=O)(=O)c2cnn(CC(=O)O)c2)CCO1
InChIInChI=1S/C10H15N3O5S/c1-8-5-13(2-3-18-8)19(16,17)9-4-11-12(6-9)7-10(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyHTWUZFKTIPZJEC-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid (CID 43510998) is 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid is CC1CN(S(=O)(=O)c2cnn(CC(=O)O)c2)CCO1.
What is the InChIKey of 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is HTWUZFKTIPZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-8-5-13(2-3-18-8)19(16,17)9-4-11-12(6-9)7-10(14)15/h4,6,8H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(2-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-(2-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 43510998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).