1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole

C24H18ClF3N2O2 — CID 57458203

IUPAC1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(OCc3ccccc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H18ClF3N2O2/c25-21-8-4-5-9-22(21)30-18(14-23(29-30)24(26,27)28)16-32-20-12-10-19(11-13-20)31-15-17-6-2-1-3-7-17/h1-14H,15-16H2
InChIKeyNPHQMDGPWJJULQ-UHFFFAOYSA-N
MW458.87 g/mol
LogP6.70
Rot. Bonds7

About 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole

1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 57458203) has the molecular formula C24H18ClF3N2O2 and a molecular weight of 458.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID57458203
Molecular FormulaC24H18ClF3N2O2
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC Name1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(OCc3ccccc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H18ClF3N2O2/c25-21-8-4-5-9-22(21)30-18(14-23(29-30)24(26,27)28)16-32-20-12-10-19(11-13-20)31-15-17-6-2-1-3-7-17/h1-14H,15-16H2
InChIKeyNPHQMDGPWJJULQ-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

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 73291871
5-(4-Chlorophenyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(2-methoxyphenyl)-1H-pyrazole
CID 73291874
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrazole
CID 73293983
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2S,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 73294550
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 90040082
5-(4-chlorophenyl)-3-[(2S,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 90200902
1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11340857
5-(4-Chlorophenyl)-1-(2-methoxyphenyl)-3-(oxan-4-yloxy)pyrazole
CID 73296550
4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
CID 73296687
5-(4-Chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole
CID 73296846

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole (CID 57458203) is 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(COc2ccc(OCc3ccccc3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is NPHQMDGPWJJULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O2/c25-21-8-4-5-9-22(21)30-18(14-23(29-30)24(26,27)28)16-32-20-12-10-19(11-13-20)31-15-17-6-2-1-3-7-17/h1-14H,15-16H2.
What are the key properties of 1-(2-chlorophenyl)-5-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
1-(2-chlorophenyl)-5-[(4-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-[(4-phenylmethoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 57458203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).