5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol

C24H20Cl2N2O4 — CID 135651484

IUPAC5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1OC
InChIInChI=1S/C24H20Cl2N2O4/c1-30-22-8-4-15(10-23(22)31-2)18-12-27-28-24(18)17-6-5-16(11-21(17)29)32-13-14-3-7-19(25)20(26)9-14/h3-12,29H,13H2,1-2H3,(H,27,28)
InChIKeyLFDVNMVWNUYFHL-UHFFFAOYSA-N
MW471.34 g/mol
LogP6.35
Rot. Bonds7

About 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol

5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 135651484) has the molecular formula C24H20Cl2N2O4 and a molecular weight of 471.34 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID135651484
Molecular FormulaC24H20Cl2N2O4
Molecular Weight471.34 g/mol
Exact Mass470.08
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1OC
InChIInChI=1S/C24H20Cl2N2O4/c1-30-22-8-4-15(10-23(22)31-2)18-12-27-28-24(18)17-6-5-16(11-21(17)29)32-13-14-3-7-19(25)20(26)9-14/h3-12,29H,13H2,1-2H3,(H,27,28)
InChIKeyLFDVNMVWNUYFHL-UHFFFAOYSA-N
XLogP6.35
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
CID 135651610
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135765783
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 3647867

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 135651484) is 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1OC.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is LFDVNMVWNUYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O4/c1-30-22-8-4-15(10-23(22)31-2)18-12-27-28-24(18)17-6-5-16(11-21(17)29)32-13-14-3-7-19(25)20(26)9-14/h3-12,29H,13H2,1-2H3,(H,27,28).
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol?
5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 471.34 g/mol, XLogP of 6.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135651484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).