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

C24H16ClF3N2O2 — CID 57458211

IUPAC[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(OCc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C24H16ClF3N2O2/c25-20-11-4-5-12-21(20)30-18(14-22(29-30)24(26,27)28)15-32-19-10-6-9-17(13-19)23(31)16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyCPAASZCWJJDMHE-UHFFFAOYSA-N
MW456.85 g/mol
LogP6.35
Rot. Bonds6

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

[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 57458211) has the molecular formula C24H16ClF3N2O2 and a molecular weight of 456.85 g/mol. Its IUPAC name is [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone
PubChem CID57458211
Molecular FormulaC24H16ClF3N2O2
Molecular Weight456.85 g/mol
Exact Mass456.09
IUPAC Name[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(OCc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C24H16ClF3N2O2/c25-20-11-4-5-12-21(20)30-18(14-22(29-30)24(26,27)28)15-32-19-10-6-9-17(13-19)23(31)16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyCPAASZCWJJDMHE-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

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Related Compounds

4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-2,2,6,6-tetramethylcyclohexan-1-one
CID 73294920
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CID 11698710
1-(2-Chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19587007
[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 25003054
[1-(3-Chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 44233780
2-[4-[[2-(4-Chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopentene-1-carboxylic acid
CID 45381840
N-(2-chlorophenyl)-3-methoxy-4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 46188577
N-(2-chlorophenyl)-3-methoxy-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 46188757
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

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone (CID 57458211) is [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(OCc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1.
What is the InChIKey of [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is CPAASZCWJJDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O2/c25-20-11-4-5-12-21(20)30-18(14-22(29-30)24(26,27)28)15-32-19-10-6-9-17(13-19)23(31)16-7-2-1-3-8-16/h1-14H,15H2.
What are the key properties of [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone?
[3-[[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 [3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 57458211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).