3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid

C10H15N3O4S — CID 43513469

IUPAC3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C10H15N3O4S/c14-10(15)3-6-12-8-9(7-11-12)18(16,17)13-4-1-2-5-13/h7-8H,1-6H2,(H,14,15)
InChIKeyOYJIGSLJULSTAP-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.14
Rot. Bonds5

About 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid

3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid (PubChem CID 43513469) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid
PubChem CID43513469
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C10H15N3O4S/c14-10(15)3-6-12-8-9(7-11-12)18(16,17)13-4-1-2-5-13/h7-8H,1-6H2,(H,14,15)
InChIKeyOYJIGSLJULSTAP-UHFFFAOYSA-N
XLogP0.14
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid (CID 43513469) is 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid is O=C(O)CCn1cc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid?
The InChIKey is OYJIGSLJULSTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c14-10(15)3-6-12-8-9(7-11-12)18(16,17)13-4-1-2-5-13/h7-8H,1-6H2,(H,14,15).
What are the key properties of 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid?
3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 43513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).