1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine

C9H13F3N4O2S — CID 102691873

IUPAC1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)7-15-3-5-16(6-4-15)19(17,18)8-1-2-13-14-8/h1-2H,3-7H2,(H,13,14)
InChIKeyHYSYROLARXTBCE-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.28
Rot. Bonds3

About 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 102691873) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID102691873
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(c1ccn[nH]1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)7-15-3-5-16(6-4-15)19(17,18)8-1-2-13-14-8/h1-2H,3-7H2,(H,13,14)
InChIKeyHYSYROLARXTBCE-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-5-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

Related Compounds

1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 47267551
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
[5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1H-pyrazol-4-yl]methanamine
CID 65798711
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691536
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692171
2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 102692177
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
N,N-dimethyl-2-[1H-pyrazol-5-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 102692186

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 102691873) is 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine is O=S(=O)(c1ccn[nH]1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is HYSYROLARXTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c10-9(11,12)7-15-3-5-16(6-4-15)19(17,18)8-1-2-13-14-8/h1-2H,3-7H2,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(1H-pyrazol-5-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-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 102691873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).