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

C26H22F3N3O — CID 10874033

IUPACN,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H22F3N3O/c1-31(2)24(33)15-21-17-32(23-13-7-12-22(16-23)26(27,28)29)30-25(21)20-11-6-10-19(14-20)18-8-4-3-5-9-18/h3-14,16-17H,15H2,1-2H3
InChIKeyNNPRJMOLHDOXFI-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.86
Rot. Bonds5

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

N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (PubChem CID 10874033) has the molecular formula C26H22F3N3O and a molecular weight of 449.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
PubChem CID10874033
Molecular FormulaC26H22F3N3O
Molecular Weight449.48 g/mol
Exact Mass449.17
IUPAC NameN,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H22F3N3O/c1-31(2)24(33)15-21-17-32(23-13-7-12-22(16-23)26(27,28)29)30-25(21)20-11-6-10-19(14-20)18-8-4-3-5-9-18/h3-14,16-17H,15H2,1-2H3
InChIKeyNNPRJMOLHDOXFI-UHFFFAOYSA-N
XLogP5.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (CID 10874033) is N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The InChIKey is NNPRJMOLHDOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O/c1-31(2)24(33)15-21-17-32(23-13-7-12-22(16-23)26(27,28)29)30-25(21)20-11-6-10-19(14-20)18-8-4-3-5-9-18/h3-14,16-17H,15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
N,N-dimethyl-2-[3-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide has a molecular weight of 449.48 g/mol, XLogP of 5.86, 5 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-(3-phenylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 10874033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).