4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole

C10H6F3N3O — CID 15323369

IUPAC4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESO=Nc1c(-c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)9-8(16-17)7(14-15-9)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyJBQKSGYKEAAGEH-UHFFFAOYSA-N
MW241.17 g/mol
LogP3.49
Rot. Bonds2

About 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole

4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 15323369) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID15323369
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESO=Nc1c(-c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)9-8(16-17)7(14-15-9)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyJBQKSGYKEAAGEH-UHFFFAOYSA-N
XLogP3.49
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole (CID 15323369) is 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole is O=Nc1c(-c2ccccc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is JBQKSGYKEAAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)9-8(16-17)7(14-15-9)6-4-2-1-3-5-6/h1-5H,(H,14,15).
What are the key properties of 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 241.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-3-phenyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 15323369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).