2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide

C28H24F3N3O — CID 11081267

IUPAC2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C28H24F3N3O/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/h3-9,12-14,16-17H,10-11,15H2,1-2H3
InChIKeyPFNWANYORLGUBT-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.95
Rot. Bonds4

About 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide

2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide (PubChem CID 11081267) has the molecular formula C28H24F3N3O and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
PubChem CID11081267
Molecular FormulaC28H24F3N3O
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C28H24F3N3O/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/h3-9,12-14,16-17H,10-11,15H2,1-2H3
InChIKeyPFNWANYORLGUBT-UHFFFAOYSA-N
XLogP5.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 11784017
2-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 11004574
[2-[4-[2-(dimethylamino)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-9H-fluoren-9-yl] acetate
CID 10951429
2-[3-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 10982289
(E)-3-[3-(9H-fluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-enoic acid
CID 11123164
2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 10972315
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-phenylacetamide
CID 11827067
2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
2-[1-(4-tert-butylphenyl)-3-(3,4-dichlorophenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 11048260
4-[4-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
CID 155813475
N,N-dimethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 8868431
N-methoxy-5-(methoxymethyl)-N-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436218

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide (CID 11081267) is 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)CCc1ccccc1-2.
What is the InChIKey of 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
The InChIKey is PFNWANYORLGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O/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/h3-9,12-14,16-17H,10-11,15H2,1-2H3.
What are the key properties of 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide?
2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide has a molecular weight of 475.51 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,10-dihydrophenanthren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11081267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).