4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide

C25H19ClF3N3O2 — CID 59240087

IUPAC4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H19ClF3N3O2/c1-30-24(33)18-8-6-16(7-9-18)17-10-12-20(13-11-17)34-15-19-14-23(25(27,28)29)31-32(19)22-5-3-2-4-21(22)26/h2-14H,15H2,1H3,(H,30,33)
InChIKeyLFOWWQNKOSCFHL-UHFFFAOYSA-N
MW485.89 g/mol
LogP6.15
Rot. Bonds6

About 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide

4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide (PubChem CID 59240087) has the molecular formula C25H19ClF3N3O2 and a molecular weight of 485.89 g/mol. Its IUPAC name is 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide
PubChem CID59240087
Molecular FormulaC25H19ClF3N3O2
Molecular Weight485.89 g/mol
Exact Mass485.11
IUPAC Name4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H19ClF3N3O2/c1-30-24(33)18-8-6-16(7-9-18)17-10-12-20(13-11-17)34-15-19-14-23(25(27,28)29)31-32(19)22-5-3-2-4-21(22)26/h2-14H,15H2,1H3,(H,30,33)
InChIKeyLFOWWQNKOSCFHL-UHFFFAOYSA-N
XLogP6.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-[[1-(2-Chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoyl]amino]methyl]benzoic acid
CID 72202151
US20240158414, Example 151
CID 156249403
US20240158414, Example 23
CID 156249778
US20240158414, Example 152
CID 156249872
US20240158414, Example 25
CID 156271570
2-[[4-(4-Chlorophenyl)-2,5-diphenylpyrazol-3-yl]methoxy]benzoyl fluoride
CID 11698710
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 3892468
Ethyl 5-{3-[2-(4-chlorophenoxy)acetamido]phenyl}-1-(3-fluorophenyl)-1H-pyrazole-3-carboxylate
CID 46094053
Ethyl 5-{3-[2-(3-chlorophenoxy)acetamido]phenyl}-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylate
CID 46094169
1-(2,4-dichlorophenyl)-N-(4,4-difluorocyclohexyl)-4-methyl-5-[4-(3,3,3-trifluoropropoxy)phenyl]pyrazole-3-carboxamide
CID 16041178
N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methyl-5-[4-(3,3,3-trifluoropropoxy)phenyl]pyrazole-3-carboxamide
CID 16041179
1-(2,4-dichlorophenyl)-N-(4,4-difluorocyclohexyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole-3-carboxamide
CID 16041351

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide?
The IUPAC name of 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide (CID 59240087) is 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1.
What is the InChIKey of 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide?
The InChIKey is LFOWWQNKOSCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O2/c1-30-24(33)18-8-6-16(7-9-18)17-10-12-20(13-11-17)34-15-19-14-23(25(27,28)29)31-32(19)22-5-3-2-4-21(22)26/h2-14H,15H2,1H3,(H,30,33).
What are the key properties of 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide?
4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide has a molecular weight of 485.89 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-N-methylbenzamide is sourced from PubChem (CID 59240087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).