N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide

C25H27F3N4O2 — CID 69369781

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1OCCC1CCCCN1
InChIInChI=1S/C25H27F3N4O2/c1-32-22(11-14-30-32)20-16-18(9-10-23(20)34-15-12-17-6-4-5-13-29-17)31-24(33)19-7-2-3-8-21(19)25(26,27)28/h2-3,7-11,14,16-17,29H,4-6,12-13,15H2,1H3,(H,31,33)
InChIKeySCVSIRHRAGRQPH-UHFFFAOYSA-N
MW472.51 g/mol
LogP5.27
Rot. Bonds7

About N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide

N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 69369781) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID69369781
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1OCCC1CCCCN1
InChIInChI=1S/C25H27F3N4O2/c1-32-22(11-14-30-32)20-16-18(9-10-23(20)34-15-12-17-6-4-5-13-29-17)31-24(33)19-7-2-3-8-21(19)25(26,27)28/h2-3,7-11,14,16-17,29H,4-6,12-13,15H2,1H3,(H,31,33)
InChIKeySCVSIRHRAGRQPH-UHFFFAOYSA-N
XLogP5.27
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)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-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide (CID 69369781) is N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1OCCC1CCCCN1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is SCVSIRHRAGRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-32-22(11-14-30-32)20-16-18(9-10-23(20)34-15-12-17-6-4-5-13-29-17)31-24(33)19-7-2-3-8-21(19)25(26,27)28/h2-3,7-11,14,16-17,29H,4-6,12-13,15H2,1H3,(H,31,33).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 472.51 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 69369781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).