3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole

C19H19F3N4 — CID 18663221

IUPAC3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3[nH]nc4ccccc34)CC2)c1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)14-4-3-5-15(12-14)26-10-8-25(9-11-26)13-18-16-6-1-2-7-17(16)23-24-18/h1-7,12H,8-11,13H2,(H,23,24)
InChIKeyNXWSCCAMDZSGJW-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.90
Rot. Bonds3

About 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole

3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole (PubChem CID 18663221) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole
PubChem CID18663221
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3[nH]nc4ccccc34)CC2)c1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)14-4-3-5-15(12-14)26-10-8-25(9-11-26)13-18-16-6-1-2-7-17(16)23-24-18/h1-7,12H,8-11,13H2,(H,23,24)
InChIKeyNXWSCCAMDZSGJW-UHFFFAOYSA-N
XLogP3.90
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole?
The IUPAC name of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole (CID 18663221) is 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole.
What is the SMILES notation for 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole?
The canonical SMILES for 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole is FC(F)(F)c1cccc(N2CCN(Cc3[nH]nc4ccccc34)CC2)c1.
What is the InChIKey of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole?
The InChIKey is NXWSCCAMDZSGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c20-19(21,22)14-4-3-5-15(12-14)26-10-8-25(9-11-26)13-18-16-6-1-2-7-17(16)23-24-18/h1-7,12H,8-11,13H2,(H,23,24).
What are the key properties of 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole?
3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole has a molecular weight of 360.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2H-indazole is sourced from PubChem (CID 18663221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).