3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid

C11H17N3O4S — CID 61225613

IUPAC3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
SMILESCC1CCN(S(=O)(=O)c2cnn(CCC(=O)O)c2)C1
InChIInChI=1S/C11H17N3O4S/c1-9-2-5-14(7-9)19(17,18)10-6-12-13(8-10)4-3-11(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyRYVUOQQEZWRZDT-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.39
Rot. Bonds5

About 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid

3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid (PubChem CID 61225613) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
PubChem CID61225613
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
SMILESCC1CCN(S(=O)(=O)c2cnn(CCC(=O)O)c2)C1
InChIInChI=1S/C11H17N3O4S/c1-9-2-5-14(7-9)19(17,18)10-6-12-13(8-10)4-3-11(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyRYVUOQQEZWRZDT-UHFFFAOYSA-N
XLogP0.39
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 79188745
3-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrazol-1-yl]propanoic acid
CID 62988175
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
3-[4-[2-(hydroxymethyl)morpholin-4-yl]sulfonylpyrazol-1-yl]propanoic acid
CID 81193748
3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propanoic acid
CID 106313499
3-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 63606666
3-[4-(2,5-dimethylmorpholin-4-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 43544547
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 94895656
3-[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]propanoic acid
CID 61226806
1-(2-chloroethyl)-4-(3-ethylpyrrolidin-1-yl)sulfonylpyrazole
CID 113419392
2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid (CID 61225613) is 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid is CC1CCN(S(=O)(=O)c2cnn(CCC(=O)O)c2)C1.
What is the InChIKey of 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
The InChIKey is RYVUOQQEZWRZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-9-2-5-14(7-9)19(17,18)10-6-12-13(8-10)4-3-11(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid?
3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid is sourced from PubChem (CID 61225613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).