N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide

C24H21F5N4O3 — CID 171682537

IUPACN-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H21F5N4O3/c25-17-3-6-21(26)16(11-17)12-22(34)32-9-7-19(8-10-32)33-14-18(13-30-33)31-23(35)15-1-4-20(5-2-15)36-24(27,28)29/h1-6,11,13-14,19H,7-10,12H2,(H,31,35)
InChIKeyIMBYEMVMHRAZNQ-UHFFFAOYSA-N
MW508.45 g/mol
LogP4.72
Rot. Bonds6

About N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide

N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 171682537) has the molecular formula C24H21F5N4O3 and a molecular weight of 508.45 g/mol. Its IUPAC name is N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
PubChem CID171682537
Molecular FormulaC24H21F5N4O3
Molecular Weight508.45 g/mol
Exact Mass508.15
IUPAC NameN-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H21F5N4O3/c25-17-3-6-21(26)16(11-17)12-22(34)32-9-7-19(8-10-32)33-14-18(13-30-33)31-23(35)15-1-4-20(5-2-15)36-24(27,28)29/h1-6,11,13-14,19H,7-10,12H2,(H,31,35)
InChIKeyIMBYEMVMHRAZNQ-UHFFFAOYSA-N
XLogP4.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide 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 N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide (CID 171682537) is N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1cnn(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is IMBYEMVMHRAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O3/c25-17-3-6-21(26)16(11-17)12-22(34)32-9-7-19(8-10-32)33-14-18(13-30-33)31-23(35)15-1-4-20(5-2-15)36-24(27,28)29/h1-6,11,13-14,19H,7-10,12H2,(H,31,35).
What are the key properties of N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide?
N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 508.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 171682537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).