4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole

C18H16Cl2N2O — CID 3569125

IUPAC4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole
SMILESClc1ccc(-c2cnn(CCOCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C18H16Cl2N2O/c19-17-7-5-14(6-8-17)16-11-21-22(12-16)9-10-23-13-15-3-1-2-4-18(15)20/h1-8,11-12H,9-10,13H2
InChIKeyRBTZUOYGUUMFLA-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.07
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole

4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole (PubChem CID 3569125) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole
PubChem CID3569125
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole
SMILESClc1ccc(-c2cnn(CCOCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C18H16Cl2N2O/c19-17-7-5-14(6-8-17)16-11-21-22(12-16)9-10-23-13-15-3-1-2-4-18(15)20/h1-8,11-12H,9-10,13H2
InChIKeyRBTZUOYGUUMFLA-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole (CID 3569125) is 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole is Clc1ccc(-c2cnn(CCOCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole?
The InChIKey is RBTZUOYGUUMFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-17-7-5-14(6-8-17)16-11-21-22(12-16)9-10-23-13-15-3-1-2-4-18(15)20/h1-8,11-12H,9-10,13H2.
What are the key properties of 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole?
4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole has a molecular weight of 347.25 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-[(2-chlorophenyl)methoxy]ethyl]pyrazole is sourced from PubChem (CID 3569125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).