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

C23H18ClFN2O — CID 3435206

IUPAC3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H18ClFN2O/c24-19-9-5-18(6-10-19)16-28-23-4-2-1-3-21(23)22-13-14-27(26-22)15-17-7-11-20(25)12-8-17/h1-14H,15-16H2
InChIKeyJVICXJLNZKERNU-UHFFFAOYSA-N
MW392.86 g/mol
LogP5.97
Rot. Bonds6

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

3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 3435206) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID3435206
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC Name3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H18ClFN2O/c24-19-9-5-18(6-10-19)16-28-23-4-2-1-3-21(23)22-13-14-27(26-22)15-17-7-11-20(25)12-8-17/h1-14H,15-16H2
InChIKeyJVICXJLNZKERNU-UHFFFAOYSA-N
XLogP5.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 55.97
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-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole (CID 3435206) is 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole is Fc1ccc(Cn2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is JVICXJLNZKERNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c24-19-9-5-18(6-10-19)16-28-23-4-2-1-3-21(23)22-13-14-27(26-22)15-17-7-11-20(25)12-8-17/h1-14H,15-16H2.
What are the key properties of 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 392.86 g/mol, XLogP of 5.97, 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-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 3435206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).