N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide

C28H22F3N3O — CID 10874398

IUPACN,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C28H22F3N3O/c1-33(2)26(35)15-21-17-34(23-8-5-7-22(16-23)28(29,30)31)32-27(21)20-12-13-25-19(14-20)11-10-18-6-3-4-9-24(18)25/h3-14,16-17H,15H2,1-2H3
InChIKeyVTXOHAWXOIOHKT-UHFFFAOYSA-N
MW473.50 g/mol
LogP6.50
Rot. Bonds4

About N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide

N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (PubChem CID 10874398) has the molecular formula C28H22F3N3O and a molecular weight of 473.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
PubChem CID10874398
Molecular FormulaC28H22F3N3O
Molecular Weight473.50 g/mol
Exact Mass473.17
IUPAC NameN,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C28H22F3N3O/c1-33(2)26(35)15-21-17-34(23-8-5-7-22(16-23)28(29,30)31)32-27(21)20-12-13-25-19(14-20)11-10-18-6-3-4-9-24(18)25/h3-14,16-17H,15H2,1-2H3
InChIKeyVTXOHAWXOIOHKT-UHFFFAOYSA-N
XLogP6.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]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 N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (CID 10874398) is N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The InChIKey is VTXOHAWXOIOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N3O/c1-33(2)26(35)15-21-17-34(23-8-5-7-22(16-23)28(29,30)31)32-27(21)20-12-13-25-19(14-20)11-10-18-6-3-4-9-24(18)25/h3-14,16-17H,15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide has a molecular weight of 473.50 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 10874398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).