1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine

C14H15F3N4 — CID 23014217

IUPAC1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-10-13(20-8-6-18-7-9-20)21(19-12)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2
InChIKeyBEELCYRNXLSUHJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.30
Rot. Bonds2

About 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine

1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine (PubChem CID 23014217) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine.

Molecular Properties

Compound Name1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine
PubChem CID23014217
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine
SMILESFC(F)(F)c1cc(N2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-10-13(20-8-6-18-7-9-20)21(19-12)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2
InChIKeyBEELCYRNXLSUHJ-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine-1-carboxylate
CID 23014202
1-(3-phenyltriazol-4-yl)piperazine
CID 59511215
1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 22250323
5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
CID 59511192
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
CID 42639219
4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
CID 24880031

Frequently Asked Questions

What is the IUPAC name of 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine?
The IUPAC name of 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine (CID 23014217) is 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine.
What is the SMILES notation for 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine?
The canonical SMILES for 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine is FC(F)(F)c1cc(N2CCNCC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine?
The InChIKey is BEELCYRNXLSUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)12-10-13(20-8-6-18-7-9-20)21(19-12)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2.
What are the key properties of 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine?
1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine has a molecular weight of 296.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine is sourced from PubChem (CID 23014217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).