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

C23H17Cl3N2O — CID 5142104

IUPAC3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
SMILESClc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C23H17Cl3N2O/c24-18-8-5-16(6-9-18)15-29-23-4-2-1-3-19(23)22-11-12-28(27-22)14-17-7-10-20(25)21(26)13-17/h1-13H,14-15H2
InChIKeyUAGVVYADQPGKSY-UHFFFAOYSA-N
MW443.76 g/mol
LogP7.14
Rot. Bonds6

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

3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole (PubChem CID 5142104) has the molecular formula C23H17Cl3N2O and a molecular weight of 443.76 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
PubChem CID5142104
Molecular FormulaC23H17Cl3N2O
Molecular Weight443.76 g/mol
Exact Mass442.04
IUPAC Name3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole
SMILESClc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C23H17Cl3N2O/c24-18-8-5-16(6-9-18)15-29-23-4-2-1-3-19(23)22-11-12-28(27-22)14-17-7-10-20(25)21(26)13-17/h1-13H,14-15H2
InChIKeyUAGVVYADQPGKSY-UHFFFAOYSA-N
XLogP7.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
The IUPAC name of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole (CID 5142104) is 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole is Clc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
The InChIKey is UAGVVYADQPGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O/c24-18-8-5-16(6-9-18)15-29-23-4-2-1-3-19(23)22-11-12-28(27-22)14-17-7-10-20(25)21(26)13-17/h1-13H,14-15H2.
What are the key properties of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole?
3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole has a molecular weight of 443.76 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(3,4-dichlorophenyl)methyl]pyrazole is sourced from PubChem (CID 5142104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).