1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

C16H19F3N4O2S — CID 6470699

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C16H19F3N4O2S/c1-2-22-12-15(11-20-22)26(24,25)23-8-6-21(7-9-23)14-5-3-4-13(10-14)16(17,18)19/h3-5,10-12H,2,6-9H2,1H3
InChIKeyZMYTYIUHPGPJCC-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.43
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 6470699) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID6470699
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C16H19F3N4O2S/c1-2-22-12-15(11-20-22)26(24,25)23-8-6-21(7-9-23)14-5-3-4-13(10-14)16(17,18)19/h3-5,10-12H,2,6-9H2,1H3
InChIKeyZMYTYIUHPGPJCC-UHFFFAOYSA-N
XLogP2.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine (CID 6470699) is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine is CCn1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZMYTYIUHPGPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-2-22-12-15(11-20-22)26(24,25)23-8-6-21(7-9-23)14-5-3-4-13(10-14)16(17,18)19/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 388.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 6470699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).