N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide

C23H15ClF3N3O2 — CID 46088091

IUPACN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15ClF3N3O2/c24-18-8-4-5-9-20(18)30-21(14-19(29-30)15-6-2-1-3-7-15)28-22(31)16-10-12-17(13-11-16)32-23(25,26)27/h1-14H,(H,28,31)
InChIKeyZDSVVWYVXONWOB-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.34
Rot. Bonds5

About N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide

N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 46088091) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID46088091
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC NameN-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H15ClF3N3O2/c24-18-8-4-5-9-20(18)30-21(14-19(29-30)15-6-2-1-3-7-15)28-22(31)16-10-12-17(13-11-16)32-23(25,26)27/h1-14H,(H,28,31)
InChIKeyZDSVVWYVXONWOB-UHFFFAOYSA-N
XLogP6.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
(5-Anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 867969
4-trifluoromethoxy-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
N-butyl-N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 42731776
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide (CID 46088091) is N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZDSVVWYVXONWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-18-8-4-5-9-20(18)30-21(14-19(29-30)15-6-2-1-3-7-15)28-22(31)16-10-12-17(13-11-16)32-23(25,26)27/h1-14H,(H,28,31).
What are the key properties of N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 457.84 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46088091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).