1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine

C18H16BrF3N4O — CID 141236151

IUPAC1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine
SMILESCOc1ccc(NNc2ccccc2)cc1-c1c(Br)c(C(F)(F)F)nn1C
InChIInChI=1S/C18H16BrF3N4O/c1-26-16(15(19)17(25-26)18(20,21)22)13-10-12(8-9-14(13)27-2)24-23-11-6-4-3-5-7-11/h3-10,23-24H,1-2H3
InChIKeyWOWPHQVTWDAFRD-UHFFFAOYSA-N
MW441.25 g/mol
LogP5.32
Rot. Bonds5

About 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine

1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine (PubChem CID 141236151) has the molecular formula C18H16BrF3N4O and a molecular weight of 441.25 g/mol. Its IUPAC name is 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine
PubChem CID141236151
Molecular FormulaC18H16BrF3N4O
Molecular Weight441.25 g/mol
Exact Mass440.05
IUPAC Name1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine
SMILESCOc1ccc(NNc2ccccc2)cc1-c1c(Br)c(C(F)(F)F)nn1C
InChIInChI=1S/C18H16BrF3N4O/c1-26-16(15(19)17(25-26)18(20,21)22)13-10-12(8-9-14(13)27-2)24-23-11-6-4-3-5-7-11/h3-10,23-24H,1-2H3
InChIKeyWOWPHQVTWDAFRD-UHFFFAOYSA-N
XLogP5.32
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.25
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine?
The IUPAC name of 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine (CID 141236151) is 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine?
The canonical SMILES for 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine is COc1ccc(NNc2ccccc2)cc1-c1c(Br)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine?
The InChIKey is WOWPHQVTWDAFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N4O/c1-26-16(15(19)17(25-26)18(20,21)22)13-10-12(8-9-14(13)27-2)24-23-11-6-4-3-5-7-11/h3-10,23-24H,1-2H3.
What are the key properties of 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine?
1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine has a molecular weight of 441.25 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-2-phenylhydrazine is sourced from PubChem (CID 141236151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).