4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile

C23H23F3N6 — CID 24866128

IUPAC4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)C(C)CN1Cc1cn[nH]c1-c1ccc(C#N)cc1
InChIInChI=1S/C23H23F3N6/c1-15-13-32(21-8-7-20(11-28-21)23(24,25)26)16(2)12-31(15)14-19-10-29-30-22(19)18-5-3-17(9-27)4-6-18/h3-8,10-11,15-16H,12-14H2,1-2H3,(H,29,30)
InChIKeyBKPPWJVPQVSPQF-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.46
Rot. Bonds4

About 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile

4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile (PubChem CID 24866128) has the molecular formula C23H23F3N6 and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile
PubChem CID24866128
Molecular FormulaC23H23F3N6
Molecular Weight440.47 g/mol
Exact Mass440.19
IUPAC Name4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)C(C)CN1Cc1cn[nH]c1-c1ccc(C#N)cc1
InChIInChI=1S/C23H23F3N6/c1-15-13-32(21-8-7-20(11-28-21)23(24,25)26)16(2)12-31(15)14-19-10-29-30-22(19)18-5-3-17(9-27)4-6-18/h3-8,10-11,15-16H,12-14H2,1-2H3,(H,29,30)
InChIKeyBKPPWJVPQVSPQF-UHFFFAOYSA-N
XLogP4.46
TPSA71.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile?
The IUPAC name of 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile (CID 24866128) is 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile?
The canonical SMILES for 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile is CC1CN(c2ccc(C(F)(F)F)cn2)C(C)CN1Cc1cn[nH]c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile?
The InChIKey is BKPPWJVPQVSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6/c1-15-13-32(21-8-7-20(11-28-21)23(24,25)26)16(2)12-31(15)14-19-10-29-30-22(19)18-5-3-17(9-27)4-6-18/h3-8,10-11,15-16H,12-14H2,1-2H3,(H,29,30).
What are the key properties of 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile?
4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile has a molecular weight of 440.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2,5-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile is sourced from PubChem (CID 24866128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).