2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid

C9H13N3O5S — CID 43510976

IUPAC2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C9H13N3O5S/c13-9(14)7-11-6-8(5-10-11)18(15,16)12-1-3-17-4-2-12/h5-6H,1-4,7H2,(H,13,14)
InChIKeyKVYDLORRQNZIDY-UHFFFAOYSA-N
MW275.29 g/mol
LogP-1.01
Rot. Bonds4

About 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid

2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid (PubChem CID 43510976) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid
PubChem CID43510976
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C9H13N3O5S/c13-9(14)7-11-6-8(5-10-11)18(15,16)12-1-3-17-4-2-12/h5-6H,1-4,7H2,(H,13,14)
InChIKeyKVYDLORRQNZIDY-UHFFFAOYSA-N
XLogP-1.01
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid (CID 43510976) is 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid is O=C(O)Cn1cc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid?
The InChIKey is KVYDLORRQNZIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c13-9(14)7-11-6-8(5-10-11)18(15,16)12-1-3-17-4-2-12/h5-6H,1-4,7H2,(H,13,14).
What are the key properties of 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid?
2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid has a molecular weight of 275.29 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 43510976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).