2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide

C15H16BrFN4O — CID 5153048

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1nc(C)c(Br)c1C)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN4O/c1-9(12-4-6-13(17)7-5-12)18-19-14(22)8-21-11(3)15(16)10(2)20-21/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyGSOWBRBUOGRSQK-UHFFFAOYSA-N
MW367.22 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide (PubChem CID 5153048) has the molecular formula C15H16BrFN4O and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
PubChem CID5153048
Molecular FormulaC15H16BrFN4O
Molecular Weight367.22 g/mol
Exact Mass366.05
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1nc(C)c(Br)c1C)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN4O/c1-9(12-4-6-13(17)7-5-12)18-19-14(22)8-21-11(3)15(16)10(2)20-21/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyGSOWBRBUOGRSQK-UHFFFAOYSA-N
XLogP2.94
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] 3-methylbenzoate
CID 19661532
[4-[(E)-N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 4-methylbenzoate
CID 19658426
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-carbamothioylphenyl)acetamide
CID 62128720
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
2-(4-chlorophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 4646464
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
2-[(2-bromophenyl)methylsulfanyl]-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 19630501
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62129406
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726903
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide (CID 5153048) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide is CC(=NNC(=O)Cn1nc(C)c(Br)c1C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is GSOWBRBUOGRSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4O/c1-9(12-4-6-13(17)7-5-12)18-19-14(22)8-21-11(3)15(16)10(2)20-21/h4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 367.22 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5153048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).