1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole

C24H18ClF3N2O2 — CID 57458204

IUPAC1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2cccc(OCc3ccccc3)c2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H18ClF3N2O2/c25-21-11-4-5-12-22(21)30-18(13-23(29-30)24(26,27)28)16-32-20-10-6-9-19(14-20)31-15-17-7-2-1-3-8-17/h1-14H,15-16H2
InChIKeyKFPOUPIKJXFCPT-UHFFFAOYSA-N
MW458.87 g/mol
LogP6.70
Rot. Bonds7

About 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole

1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 57458204) has the molecular formula C24H18ClF3N2O2 and a molecular weight of 458.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID57458204
Molecular FormulaC24H18ClF3N2O2
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC Name1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2cccc(OCc3ccccc3)c2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H18ClF3N2O2/c25-21-11-4-5-12-22(21)30-18(13-23(29-30)24(26,27)28)16-32-20-10-6-9-19(14-20)31-15-17-7-2-1-3-8-17/h1-14H,15-16H2
InChIKeyKFPOUPIKJXFCPT-UHFFFAOYSA-N
XLogP6.70
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.87
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11340857
5-(4-Chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole
CID 73296846
1-(2-Chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19587007
1-(2-Chlorophenyl)-5-[(3-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 57458202
1-(2-Chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 57458203
Benzyl 4-[[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoate
CID 57458205
[2-[[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]-phenylmethanone
CID 57458209
[3-[[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]-phenylmethanone
CID 57458211
5-({[3,4-Bis(methyloxy)phenyl]oxy}methyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)-1h-pyrazole
CID 57458213
4-[4-[[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenoxy]phenol
CID 57458214
7-[[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]chromen-2-one
CID 57458217
(E)-3-[3-[[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]prop-2-enoic acid
CID 57458219

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole (CID 57458204) is 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(COc2cccc(OCc3ccccc3)c2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is KFPOUPIKJXFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O2/c25-21-11-4-5-12-22(21)30-18(13-23(29-30)24(26,27)28)16-32-20-10-6-9-19(14-20)31-15-17-7-2-1-3-8-17/h1-14H,15-16H2.
What are the key properties of 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 458.87 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 57458204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).