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

C19H14ClF3N2O2 — CID 59240080

IUPAC1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClF3N2O2/c1-12(26)13-5-4-6-15(9-13)27-11-14-10-18(19(21,22)23)24-25(14)17-8-3-2-7-16(17)20/h2-10H,11H2,1H3
InChIKeyANXXCNFTTIQBCE-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.33
Rot. Bonds5

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

1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 59240080) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone
PubChem CID59240080
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC Name1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C19H14ClF3N2O2/c1-12(26)13-5-4-6-15(9-13)27-11-14-10-18(19(21,22)23)24-25(14)17-8-3-2-7-16(17)20/h2-10H,11H2,1H3
InChIKeyANXXCNFTTIQBCE-UHFFFAOYSA-N
XLogP5.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzaldehyde;1-(2-chlorophenyl)-5-[(3-methoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 143695452
[4-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]carbamic acid
CID 68553865
1-(2-chlorophenyl)-5-(9H-fluoren-2-yloxymethyl)-3-(trifluoromethyl)pyrazole
CID 141219583
5-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2-methyl-1,3-benzothiazole
CID 59240050
N-(3-acetylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 68655668
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetic acid;methyl acetate
CID 159209652
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
CID 57470290
ethyl 1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 59240163
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dimethylphenyl)acetamide
CID 57458370
1-(2,6-dichlorophenyl)-5-[[4-(4-ethoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
CID 59240292
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 57458282
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 59240395

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone (CID 59240080) is 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1.
What is the InChIKey of 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is ANXXCNFTTIQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c1-12(26)13-5-4-6-15(9-13)27-11-14-10-18(19(21,22)23)24-25(14)17-8-3-2-7-16(17)20/h2-10H,11H2,1H3.
What are the key properties of 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone?
1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 394.78 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 59240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).