4-nitroso-3,5-diphenyl-1H-pyrazole

C15H11N3O — CID 15566459

IUPAC4-nitroso-3,5-diphenyl-1H-pyrazole
SMILESO=Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1
InChIInChI=1S/C15H11N3O/c19-18-15-13(11-7-3-1-4-8-11)16-17-14(15)12-9-5-2-6-10-12/h1-10H,(H,16,17)
InChIKeyYKPHKMIEBADBBC-UHFFFAOYSA-N
MW249.27 g/mol
LogP4.14
Rot. Bonds3

About 4-nitroso-3,5-diphenyl-1H-pyrazole

4-nitroso-3,5-diphenyl-1H-pyrazole (PubChem CID 15566459) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-nitroso-3,5-diphenyl-1H-pyrazole.

Molecular Properties

Compound Name4-nitroso-3,5-diphenyl-1H-pyrazole
PubChem CID15566459
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-nitroso-3,5-diphenyl-1H-pyrazole
SMILESO=Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1
InChIInChI=1S/C15H11N3O/c19-18-15-13(11-7-3-1-4-8-11)16-17-14(15)12-9-5-2-6-10-12/h1-10H,(H,16,17)
InChIKeyYKPHKMIEBADBBC-UHFFFAOYSA-N
XLogP4.14
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-3,5-diphenyl-1H-pyrazole?
The IUPAC name of 4-nitroso-3,5-diphenyl-1H-pyrazole (CID 15566459) is 4-nitroso-3,5-diphenyl-1H-pyrazole.
What is the SMILES notation for 4-nitroso-3,5-diphenyl-1H-pyrazole?
The canonical SMILES for 4-nitroso-3,5-diphenyl-1H-pyrazole is O=Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1.
What is the InChIKey of 4-nitroso-3,5-diphenyl-1H-pyrazole?
The InChIKey is YKPHKMIEBADBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-18-15-13(11-7-3-1-4-8-11)16-17-14(15)12-9-5-2-6-10-12/h1-10H,(H,16,17).
What are the key properties of 4-nitroso-3,5-diphenyl-1H-pyrazole?
4-nitroso-3,5-diphenyl-1H-pyrazole has a molecular weight of 249.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-3,5-diphenyl-1H-pyrazole is sourced from PubChem (CID 15566459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).