2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide

C23H25F3N6O — CID 24866305

IUPAC2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(CC(N)=O)cc2)CCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H25F3N6O/c1-15-13-31(8-9-32(15)19-6-7-20(28-12-19)23(24,25)26)14-18-11-29-30-22(18)17-4-2-16(3-5-17)10-21(27)33/h2-7,11-12,15H,8-10,13-14H2,1H3,(H2,27,33)(H,29,30)
InChIKeyGMAKIVFAVUHYOT-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.23
Rot. Bonds6

About 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide

2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide (PubChem CID 24866305) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
PubChem CID24866305
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(CC(N)=O)cc2)CCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H25F3N6O/c1-15-13-31(8-9-32(15)19-6-7-20(28-12-19)23(24,25)26)14-18-11-29-30-22(18)17-4-2-16(3-5-17)10-21(27)33/h2-7,11-12,15H,8-10,13-14H2,1H3,(H2,27,33)(H,29,30)
InChIKeyGMAKIVFAVUHYOT-UHFFFAOYSA-N
XLogP3.23
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide 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 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide (CID 24866305) is 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide is CC1CN(Cc2cn[nH]c2-c2ccc(CC(N)=O)cc2)CCN1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The InChIKey is GMAKIVFAVUHYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c1-15-13-31(8-9-32(15)19-6-7-20(28-12-19)23(24,25)26)14-18-11-29-30-22(18)17-4-2-16(3-5-17)10-21(27)33/h2-7,11-12,15H,8-10,13-14H2,1H3,(H2,27,33)(H,29,30).
What are the key properties of 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide?
2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide has a molecular weight of 458.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 24866305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).