1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide

C14H22F3N5O3S — CID 120778346

IUPAC1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cnn(C2CCOC2)c1
InChIInChI=1S/C14H22F3N5O3S/c15-14(16,17)13(21-4-2-18-3-5-21)8-20-26(23,24)12-7-19-22(9-12)11-1-6-25-10-11/h7,9,11,13,18,20H,1-6,8,10H2
InChIKeyVBNNPCAAZMQFJK-UHFFFAOYSA-N
MW397.42 g/mol
LogP-0.04
Rot. Bonds6

About 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide

1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide (PubChem CID 120778346) has the molecular formula C14H22F3N5O3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide
PubChem CID120778346
Molecular FormulaC14H22F3N5O3S
Molecular Weight397.42 g/mol
Exact Mass397.14
IUPAC Name1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cnn(C2CCOC2)c1
InChIInChI=1S/C14H22F3N5O3S/c15-14(16,17)13(21-4-2-18-3-5-21)8-20-26(23,24)12-7-19-22(9-12)11-1-6-25-10-11/h7,9,11,13,18,20H,1-6,8,10H2
InChIKeyVBNNPCAAZMQFJK-UHFFFAOYSA-N
XLogP-0.04
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide 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 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide (CID 120778346) is 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide is O=S(=O)(NCC(N1CCNCC1)C(F)(F)F)c1cnn(C2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide?
The InChIKey is VBNNPCAAZMQFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O3S/c15-14(16,17)13(21-4-2-18-3-5-21)8-20-26(23,24)12-7-19-22(9-12)11-1-6-25-10-11/h7,9,11,13,18,20H,1-6,8,10H2.
What are the key properties of 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide?
1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide has a molecular weight of 397.42 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120778346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).