piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C9H11F3N4O — CID 118526410

IUPACpiperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCNCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)7-5-14-16(6-7)8(17)15-3-1-13-2-4-15/h5-6,13H,1-4H2
InChIKeyUUJXLVKWQNMRSE-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.78
Rot. Bonds

About piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526410) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526410
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Namepiperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCNCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)7-5-14-16(6-7)8(17)15-3-1-13-2-4-15/h5-6,13H,1-4H2
InChIKeyUUJXLVKWQNMRSE-UHFFFAOYSA-N
XLogP0.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526410) is piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCNCC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is UUJXLVKWQNMRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)7-5-14-16(6-7)8(17)15-3-1-13-2-4-15/h5-6,13H,1-4H2.
What are the key properties of piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 248.21 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).