N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide

C25H24F3N3O2 — CID 40777764

IUPACN-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COc2ccccc2)C1
InChIInChI=1S/C25H24F3N3O2/c1-16-24(17(2)31(30-16)21-12-9-19(10-13-21)25(26,27)28)18-8-11-20(14-18)29-23(32)15-33-22-6-4-3-5-7-22/h3-13,18,20H,14-15H2,1-2H3,(H,29,32)/t18-,20-/m1/s1
InChIKeyZJSSGLVNIPOOPA-UYAOXDASSA-N
MW455.48 g/mol
LogP5.12
Rot. Bonds6

About N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide

N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide (PubChem CID 40777764) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide
PubChem CID40777764
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC NameN-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COc2ccccc2)C1
InChIInChI=1S/C25H24F3N3O2/c1-16-24(17(2)31(30-16)21-12-9-19(10-13-21)25(26,27)28)18-8-11-20(14-18)29-23(32)15-33-22-6-4-3-5-7-22/h3-13,18,20H,14-15H2,1-2H3,(H,29,32)/t18-,20-/m1/s1
InChIKeyZJSSGLVNIPOOPA-UYAOXDASSA-N
XLogP5.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide 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-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide (CID 40777764) is N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide is Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)COc2ccccc2)C1.
What is the InChIKey of N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide?
The InChIKey is ZJSSGLVNIPOOPA-UYAOXDASSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c1-16-24(17(2)31(30-16)21-12-9-19(10-13-21)25(26,27)28)18-8-11-20(14-18)29-23(32)15-33-22-6-4-3-5-7-22/h3-13,18,20H,14-15H2,1-2H3,(H,29,32)/t18-,20-/m1/s1.
What are the key properties of N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide?
N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide has a molecular weight of 455.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 40777764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).