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

C23H18ClFN2O — CID 3755883

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole
SMILESFc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H18ClFN2O/c24-19-9-5-17(6-10-19)15-27-14-13-22(26-27)21-3-1-2-4-23(21)28-16-18-7-11-20(25)12-8-18/h1-14H,15-16H2
InChIKeyAPZWTLFYCOQZRZ-UHFFFAOYSA-N
MW392.86 g/mol
LogP5.97
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole (PubChem CID 3755883) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole
PubChem CID3755883
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole
SMILESFc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H18ClFN2O/c24-19-9-5-17(6-10-19)15-27-14-13-22(26-27)21-3-1-2-4-23(21)28-16-18-7-11-20(25)12-8-18/h1-14H,15-16H2
InChIKeyAPZWTLFYCOQZRZ-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 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole (CID 3755883) is 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole is Fc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole?
The InChIKey is APZWTLFYCOQZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c24-19-9-5-17(6-10-19)15-27-14-13-22(26-27)21-3-1-2-4-23(21)28-16-18-7-11-20(25)12-8-18/h1-14H,15-16H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole?
1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]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 1-[(4-chlorophenyl)methyl]-3-[2-[(4-fluorophenyl)methoxy]phenyl]pyrazole is sourced from PubChem (CID 3755883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).