(1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C26H23FN4O3S — CID 16550725

IUPAC(1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H23FN4O3S/c27-21-11-13-23(14-12-21)35(33,34)30-17-15-29(16-18-30)26(32)25-19-24(20-7-3-1-4-8-20)28-31(25)22-9-5-2-6-10-22/h1-14,19H,15-18H2
InChIKeyBXULJYHDALRLLR-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.83
Rot. Bonds5

About (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 16550725) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID16550725
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name(1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H23FN4O3S/c27-21-11-13-23(14-12-21)35(33,34)30-17-15-29(16-18-30)26(32)25-19-24(20-7-3-1-4-8-20)28-31(25)22-9-5-2-6-10-22/h1-14,19H,15-18H2
InChIKeyBXULJYHDALRLLR-UHFFFAOYSA-N
XLogP3.83
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone 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 (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 16550725) is (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is BXULJYHDALRLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c27-21-11-13-23(14-12-21)35(33,34)30-17-15-29(16-18-30)26(32)25-19-24(20-7-3-1-4-8-20)28-31(25)22-9-5-2-6-10-22/h1-14,19H,15-18H2.
What are the key properties of (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 490.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 16550725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).