4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole

C15H10Cl2N2O — CID 117229383

IUPAC4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
SMILESClc1cccc(Oc2cnn(-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C15H10Cl2N2O/c16-11-3-1-5-13(7-11)19-10-15(9-18-19)20-14-6-2-4-12(17)8-14/h1-10H
InChIKeyXCAPNWVADNUYEW-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.97
Rot. Bonds3

About 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole

4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole (PubChem CID 117229383) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
PubChem CID117229383
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
SMILESClc1cccc(Oc2cnn(-c3cccc(Cl)c3)c2)c1
InChIInChI=1S/C15H10Cl2N2O/c16-11-3-1-5-13(7-11)19-10-15(9-18-19)20-14-6-2-4-12(17)8-14/h1-10H
InChIKeyXCAPNWVADNUYEW-UHFFFAOYSA-N
XLogP4.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole?
The IUPAC name of 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole (CID 117229383) is 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole?
The canonical SMILES for 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole is Clc1cccc(Oc2cnn(-c3cccc(Cl)c3)c2)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole?
The InChIKey is XCAPNWVADNUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-3-1-5-13(7-11)19-10-15(9-18-19)20-14-6-2-4-12(17)8-14/h1-10H.
What are the key properties of 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole?
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole has a molecular weight of 305.16 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole is sourced from PubChem (CID 117229383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).