N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide

C26H22F3N3O3 — CID 16549700

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C26H22F3N3O3/c1-34-14-15-35-24-13-12-19(26(27,28)29)16-22(24)30-25(33)23-17-21(18-8-4-2-5-9-18)31-32(23)20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H,30,33)
InChIKeyNVQNTAAYIKTJQS-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.84
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 16549700) has the molecular formula C26H22F3N3O3 and a molecular weight of 481.47 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID16549700
Molecular FormulaC26H22F3N3O3
Molecular Weight481.47 g/mol
Exact Mass481.16
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C26H22F3N3O3/c1-34-14-15-35-24-13-12-19(26(27,28)29)16-22(24)30-25(33)23-17-21(18-8-4-2-5-9-18)31-32(23)20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H,30,33)
InChIKeyNVQNTAAYIKTJQS-UHFFFAOYSA-N
XLogP5.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 29298199
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574118
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 4966055
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16549697

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide (CID 16549700) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is NVQNTAAYIKTJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O3/c1-34-14-15-35-24-13-12-19(26(27,28)29)16-22(24)30-25(33)23-17-21(18-8-4-2-5-9-18)31-32(23)20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H,30,33).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 16549700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).