1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine

C9H13F3N4O2S — CID 47267551

IUPAC1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)7-15-1-3-16(4-2-15)19(17,18)8-5-13-14-6-8/h5-6H,1-4,7H2,(H,13,14)
InChIKeyLLUOZNZNDQLCBW-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.28
Rot. Bonds3

About 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 47267551) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID47267551
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)7-15-1-3-16(4-2-15)19(17,18)8-5-13-14-6-8/h5-6H,1-4,7H2,(H,13,14)
InChIKeyLLUOZNZNDQLCBW-UHFFFAOYSA-N
XLogP0.28
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine 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-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 47267551) is 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine is O=S(=O)(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is LLUOZNZNDQLCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c10-9(11,12)7-15-1-3-16(4-2-15)19(17,18)8-5-13-14-6-8/h5-6H,1-4,7H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 298.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 47267551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).