4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid

C10H15N3O4S — CID 63721561

IUPAC4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid
SMILESCc1[nH]ncc1S(=O)(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C10H15N3O4S/c1-6-4-13(5-8(6)10(14)15)18(16,17)9-3-11-12-7(9)2/h3,6,8H,4-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyWTNCMFFQYLEEKT-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.06
Rot. Bonds3

About 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid (PubChem CID 63721561) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid
PubChem CID63721561
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid
SMILESCc1[nH]ncc1S(=O)(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C10H15N3O4S/c1-6-4-13(5-8(6)10(14)15)18(16,17)9-3-11-12-7(9)2/h3,6,8H,4-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyWTNCMFFQYLEEKT-UHFFFAOYSA-N
XLogP0.06
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid (CID 63721561) is 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid is Cc1[nH]ncc1S(=O)(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WTNCMFFQYLEEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6-4-13(5-8(6)10(14)15)18(16,17)9-3-11-12-7(9)2/h3,6,8H,4-5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).