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

C24H20Cl2N2O — CID 3751369

IUPAC3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole
SMILESCc1cccc(Cn2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c1
InChIInChI=1S/C24H20Cl2N2O/c1-17-4-2-5-18(12-17)15-28-11-10-24(27-28)19-6-3-7-22(13-19)29-16-20-8-9-21(25)14-23(20)26/h2-14H,15-16H2,1H3
InChIKeyPDMYJVVWUUTAPG-UHFFFAOYSA-N
MW423.34 g/mol
LogP6.79
Rot. Bonds6

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

3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole (PubChem CID 3751369) has the molecular formula C24H20Cl2N2O and a molecular weight of 423.34 g/mol. Its IUPAC name is 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole
PubChem CID3751369
Molecular FormulaC24H20Cl2N2O
Molecular Weight423.34 g/mol
Exact Mass422.10
IUPAC Name3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole
SMILESCc1cccc(Cn2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c1
InChIInChI=1S/C24H20Cl2N2O/c1-17-4-2-5-18(12-17)15-28-11-10-24(27-28)19-6-3-7-22(13-19)29-16-20-8-9-21(25)14-23(20)26/h2-14H,15-16H2,1H3
InChIKeyPDMYJVVWUUTAPG-UHFFFAOYSA-N
XLogP6.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole?
The IUPAC name of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole (CID 3751369) is 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole?
The canonical SMILES for 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole is Cc1cccc(Cn2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c1.
What is the InChIKey of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole?
The InChIKey is PDMYJVVWUUTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O/c1-17-4-2-5-18(12-17)15-28-11-10-24(27-28)19-6-3-7-22(13-19)29-16-20-8-9-21(25)14-23(20)26/h2-14H,15-16H2,1H3.
What are the key properties of 3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole?
3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole has a molecular weight of 423.34 g/mol, XLogP of 6.79, 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-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 3751369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).