4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole

C17H12ClF3N2O — CID 141222707

IUPAC4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2COc2ccccc2Cl)cc1
InChIInChI=1S/C17H12ClF3N2O/c18-14-3-1-2-4-15(14)24-10-12-9-22-23-16(12)11-5-7-13(8-6-11)17(19,20)21/h1-9H,10H2,(H,22,23)
InChIKeyLHRGLWQDQJUQOL-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.33
Rot. Bonds4

About 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole

4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 141222707) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID141222707
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2COc2ccccc2Cl)cc1
InChIInChI=1S/C17H12ClF3N2O/c18-14-3-1-2-4-15(14)24-10-12-9-22-23-16(12)11-5-7-13(8-6-11)17(19,20)21/h1-9H,10H2,(H,22,23)
InChIKeyLHRGLWQDQJUQOL-UHFFFAOYSA-N
XLogP5.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methoxy]phenyl]ethanone
CID 68723436
3,4-dichloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68721703
5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 121305761
3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
CID 46044327
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanesulfonamide
CID 91594350
2-(4,4,4-trifluorobutyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methoxy]-3H-isoindol-1-one
CID 87549497
N-methyl-N-[[5-[4-[2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 158645742
2-decoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
CID 150644469
2-methyl-3-[methyl-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122047080
5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CID 2781846
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 141222707) is 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole is FC(F)(F)c1ccc(-c2[nH]ncc2COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is LHRGLWQDQJUQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-14-3-1-2-4-15(14)24-10-12-9-22-23-16(12)11-5-7-13(8-6-11)17(19,20)21/h1-9H,10H2,(H,22,23).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 352.74 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 141222707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).