3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole

C23H16Cl4N2O — CID 5112496

IUPAC3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
SMILESClc1ccc(COc2cccc(-c3ccn(Cc4ccc(Cl)c(Cl)c4)n3)c2)c(Cl)c1
InChIInChI=1S/C23H16Cl4N2O/c24-18-6-5-17(21(26)12-18)14-30-19-3-1-2-16(11-19)23-8-9-29(28-23)13-15-4-7-20(25)22(27)10-15/h1-12H,13-14H2
InChIKeyWBSLLNJLWRNJAT-UHFFFAOYSA-N
MW478.21 g/mol
LogP7.79
Rot. Bonds6

About 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole

3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole (PubChem CID 5112496) has the molecular formula C23H16Cl4N2O and a molecular weight of 478.21 g/mol. Its IUPAC name is 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
PubChem CID5112496
Molecular FormulaC23H16Cl4N2O
Molecular Weight478.21 g/mol
Exact Mass476.00
IUPAC Name3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
SMILESClc1ccc(COc2cccc(-c3ccn(Cc4ccc(Cl)c(Cl)c4)n3)c2)c(Cl)c1
InChIInChI=1S/C23H16Cl4N2O/c24-18-6-5-17(21(26)12-18)14-30-19-3-1-2-16(11-19)23-8-9-29(28-23)13-15-4-7-20(25)22(27)10-15/h1-12H,13-14H2
InChIKeyWBSLLNJLWRNJAT-UHFFFAOYSA-N
XLogP7.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.21
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[(3,4-dichlorophenyl)methyl]pyrazole
CID 1481709
5-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazole-2-thione
CID 1479891
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
7-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1477544
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
ethyl 5-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400398
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472974
4-[[3-(4-chlorophenyl)pyrazol-1-yl]methyl]aniline
CID 142784777
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
2-amino-4-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406404
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
The IUPAC name of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole (CID 5112496) is 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
The canonical SMILES for 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole is Clc1ccc(COc2cccc(-c3ccn(Cc4ccc(Cl)c(Cl)c4)n3)c2)c(Cl)c1.
What is the InChIKey of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
The InChIKey is WBSLLNJLWRNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl4N2O/c24-18-6-5-17(21(26)12-18)14-30-19-3-1-2-16(11-19)23-8-9-29(28-23)13-15-4-7-20(25)22(27)10-15/h1-12H,13-14H2.
What are the key properties of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole has a molecular weight of 478.21 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole is sourced from PubChem (CID 5112496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).