1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole

C23H19ClN2O — CID 162394865

IUPAC1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole
SMILESCc1ccccc1COc1ccc(-c2ccnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O/c1-17-4-2-3-5-19(17)16-27-22-12-6-18(7-13-22)23-14-15-25-26(23)21-10-8-20(24)9-11-21/h2-15H,16H2,1H3
InChIKeyLOVWKPHYKBSCAO-UHFFFAOYSA-N
MW374.87 g/mol
LogP6.08
Rot. Bonds5

About 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole

1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole (PubChem CID 162394865) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole
PubChem CID162394865
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole
SMILESCc1ccccc1COc1ccc(-c2ccnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O/c1-17-4-2-3-5-19(17)16-27-22-12-6-18(7-13-22)23-14-15-25-26(23)21-10-8-20(24)9-11-21/h2-15H,16H2,1H3
InChIKeyLOVWKPHYKBSCAO-UHFFFAOYSA-N
XLogP6.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole (CID 162394865) is 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole is Cc1ccccc1COc1ccc(-c2ccnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole?
The InChIKey is LOVWKPHYKBSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-17-4-2-3-5-19(17)16-27-22-12-6-18(7-13-22)23-14-15-25-26(23)21-10-8-20(24)9-11-21/h2-15H,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole?
1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole has a molecular weight of 374.87 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[4-[(2-methylphenyl)methoxy]phenyl]pyrazole is sourced from PubChem (CID 162394865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).