1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one

C11H15F3N4O — CID 55085174

IUPAC1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
SMILESO=C(CCn1ccc(C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-1-5-18(16-9)6-2-10(19)17-7-3-15-4-8-17/h1,5,15H,2-4,6-8H2
InChIKeyJKGIBWFLKXTCPU-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.72
Rot. Bonds3

About 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one

1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (PubChem CID 55085174) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
PubChem CID55085174
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
SMILESO=C(CCn1ccc(C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-1-5-18(16-9)6-2-10(19)17-7-3-15-4-8-17/h1,5,15H,2-4,6-8H2
InChIKeyJKGIBWFLKXTCPU-UHFFFAOYSA-N
XLogP0.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (CID 55085174) is 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is O=C(CCn1ccc(C(F)(F)F)n1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The InChIKey is JKGIBWFLKXTCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)9-1-5-18(16-9)6-2-10(19)17-7-3-15-4-8-17/h1,5,15H,2-4,6-8H2.
What are the key properties of 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one has a molecular weight of 276.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 55085174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).