1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole

C15H9Cl2N3O — CID 141115199

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole
SMILESO=Nc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2N3O/c16-11-7-5-10(6-8-11)15-13(19-21)9-18-20(15)14-4-2-1-3-12(14)17/h1-9H
InChIKeyNINXYIWMHSUEQW-UHFFFAOYSA-N
MW318.16 g/mol
LogP5.24
Rot. Bonds3

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole (PubChem CID 141115199) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole
PubChem CID141115199
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole
SMILESO=Nc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2N3O/c16-11-7-5-10(6-8-11)15-13(19-21)9-18-20(15)14-4-2-1-3-12(14)17/h1-9H
InChIKeyNINXYIWMHSUEQW-UHFFFAOYSA-N
XLogP5.24
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.16
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole (CID 141115199) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole is O=Nc1cnn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole?
The InChIKey is NINXYIWMHSUEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-7-5-10(6-8-11)15-13(19-21)9-18-20(15)14-4-2-1-3-12(14)17/h1-9H.
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole has a molecular weight of 318.16 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole is sourced from PubChem (CID 141115199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).