[2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone

C24H16ClF3N2O2 — CID 57458209

IUPAC[2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C24H16ClF3N2O2/c25-19-11-5-6-12-20(19)30-17(14-22(29-30)24(26,27)28)15-32-21-13-7-4-10-18(21)23(31)16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyODQTVLFSMUXDOT-UHFFFAOYSA-N
MW456.85 g/mol
LogP6.35
Rot. Bonds6

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

[2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 57458209) has the molecular formula C24H16ClF3N2O2 and a molecular weight of 456.85 g/mol. Its IUPAC name is [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone
PubChem CID57458209
Molecular FormulaC24H16ClF3N2O2
Molecular Weight456.85 g/mol
Exact Mass456.09
IUPAC Name[2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C24H16ClF3N2O2/c25-19-11-5-6-12-20(19)30-17(14-22(29-30)24(26,27)28)15-32-21-13-7-4-10-18(21)23(31)16-8-2-1-3-9-16/h1-14H,15H2
InChIKeyODQTVLFSMUXDOT-UHFFFAOYSA-N
XLogP6.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.85
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone 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

US20240158414, Example 151
CID 156249403
US20240158414, Example 152
CID 156249872
US20240158414, Example 25
CID 156271570
2-[[4-(4-Chlorophenyl)-2,5-diphenylpyrazol-3-yl]methoxy]benzoyl fluoride
CID 11698710
3-[4-[[2-(4-Chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 45381492
1-(2-Chlorophenyl)-5-[(3-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 57458202
1-(2-Chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 57458203
1-(2-Chlorophenyl)-5-[(3-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 57458204
Benzyl 4-[[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]benzoate
CID 57458205
[3-[[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]-phenylmethanone
CID 57458211
(E)-3-[3-[[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]prop-2-enoic acid
CID 57458219
Ethyl 4-({[1-(2-chlorophenyl)-3-(trifluoromethyl)-1h-pyrazol-5-yl]methyl}oxy)benzoate
CID 57458221

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone (CID 57458209) is [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1OCc1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is ODQTVLFSMUXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O2/c25-19-11-5-6-12-20(19)30-17(14-22(29-30)24(26,27)28)15-32-21-13-7-4-10-18(21)23(31)16-8-2-1-3-9-16/h1-14H,15H2.
What are the key properties of [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
[2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone has a molecular weight of 456.85 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 57458209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).