1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

C16H19F3N4O3S — CID 71783851

IUPAC1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H19F3N4O3S/c17-16(18,19)26-14-2-4-15(5-3-14)27(24,25)23-12-9-21(10-13-23)8-11-22-7-1-6-20-22/h1-7H,8-13H2
InChIKeyPRCCKGIFBJGSMQ-UHFFFAOYSA-N
MW404.41 g/mol
LogP1.79
Rot. Bonds6

About 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 71783851) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID71783851
Molecular FormulaC16H19F3N4O3S
Molecular Weight404.41 g/mol
Exact Mass404.11
IUPAC Name1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H19F3N4O3S/c17-16(18,19)26-14-2-4-15(5-3-14)27(24,25)23-12-9-21(10-13-23)8-11-22-7-1-6-20-22/h1-7H,8-13H2
InChIKeyPRCCKGIFBJGSMQ-UHFFFAOYSA-N
XLogP1.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 71783851) is 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is PRCCKGIFBJGSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3S/c17-16(18,19)26-14-2-4-15(5-3-14)27(24,25)23-12-9-21(10-13-23)8-11-22-7-1-6-20-22/h1-7H,8-13H2.
What are the key properties of 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 404.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 71783851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).