5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

C15H23N3O3S — CID 166272006

IUPAC5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cn[nH]c1C1CCC1)N1CCC(C2CCOC2)C1
InChIInChI=1S/C15H23N3O3S/c19-22(20,14-8-16-17-15(14)11-2-1-3-11)18-6-4-12(9-18)13-5-7-21-10-13/h8,11-13H,1-7,9-10H2,(H,16,17)
InChIKeyHSQREXUTYFORHG-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.72
Rot. Bonds4

About 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (PubChem CID 166272006) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
PubChem CID166272006
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cn[nH]c1C1CCC1)N1CCC(C2CCOC2)C1
InChIInChI=1S/C15H23N3O3S/c19-22(20,14-8-16-17-15(14)11-2-1-3-11)18-6-4-12(9-18)13-5-7-21-10-13/h8,11-13H,1-7,9-10H2,(H,16,17)
InChIKeyHSQREXUTYFORHG-UHFFFAOYSA-N
XLogP1.72
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The IUPAC name of 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (CID 166272006) is 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The canonical SMILES for 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is O=S(=O)(c1cn[nH]c1C1CCC1)N1CCC(C2CCOC2)C1.
What is the InChIKey of 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The InChIKey is HSQREXUTYFORHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-22(20,14-8-16-17-15(14)11-2-1-3-11)18-6-4-12(9-18)13-5-7-21-10-13/h8,11-13H,1-7,9-10H2,(H,16,17).
What are the key properties of 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole has a molecular weight of 325.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-[3-(oxolan-3-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 166272006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).