5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole

C15H12ClN3O — CID 15354438

IUPAC5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole
SMILESO=NN1N=C(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-13-8-6-11(7-9-13)14-10-15(19(17-14)18-20)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyUETXJYZEFZMWSK-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.17
Rot. Bonds3

About 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole

5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole (PubChem CID 15354438) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole
PubChem CID15354438
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole
SMILESO=NN1N=C(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-13-8-6-11(7-9-13)14-10-15(19(17-14)18-20)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyUETXJYZEFZMWSK-UHFFFAOYSA-N
XLogP4.17
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole (CID 15354438) is 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole is O=NN1N=C(c2ccc(Cl)cc2)CC1c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole?
The InChIKey is UETXJYZEFZMWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-8-6-11(7-9-13)14-10-15(19(17-14)18-20)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole has a molecular weight of 285.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-nitroso-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 15354438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).