1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine

C15H17F3N4 — CID 117210172

IUPAC1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine
SMILESFC(F)(F)c1ccc(Cc2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)12-3-1-11(2-4-12)9-13-14(10-20-21-13)22-7-5-19-6-8-22/h1-4,10,19H,5-9H2,(H,20,21)
InChIKeyDABRQTQVMXINOL-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.43
Rot. Bonds3

About 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine

1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine (PubChem CID 117210172) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine
PubChem CID117210172
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine
SMILESFC(F)(F)c1ccc(Cc2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)12-3-1-11(2-4-12)9-13-14(10-20-21-13)22-7-5-19-6-8-22/h1-4,10,19H,5-9H2,(H,20,21)
InChIKeyDABRQTQVMXINOL-UHFFFAOYSA-N
XLogP2.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209858
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209912
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209965
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335568

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine (CID 117210172) is 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine is FC(F)(F)c1ccc(Cc2[nH]ncc2N2CCNCC2)cc1.
What is the InChIKey of 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine?
The InChIKey is DABRQTQVMXINOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c16-15(17,18)12-3-1-11(2-4-12)9-13-14(10-20-21-13)22-7-5-19-6-8-22/h1-4,10,19H,5-9H2,(H,20,21).
What are the key properties of 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine?
1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine has a molecular weight of 310.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).