2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide

C13H15BrN4O2 — CID 5423591

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C13H15BrN4O2/c1-8-4-5-11(20-8)6-15-16-12(19)7-18-10(3)13(14)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,19)/b15-6+
InChIKeyPGLCIZFGGGNUGT-GIDUJCDVSA-N
MW339.19 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5423591) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5423591
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C13H15BrN4O2/c1-8-4-5-11(20-8)6-15-16-12(19)7-18-10(3)13(14)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,19)/b15-6+
InChIKeyPGLCIZFGGGNUGT-GIDUJCDVSA-N
XLogP2.31
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-bromo-N'-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 6880083
N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 5930265
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 6869785
N'-[1-(2-furyl)ethylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 9600460
N'-[(E)-furan-2-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6880038
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5423737
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
CID 5400166
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9556917
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6908235
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9650873
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823445
N-[(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2632556

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5423591) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is PGLCIZFGGGNUGT-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-8-4-5-11(20-8)6-15-16-12(19)7-18-10(3)13(14)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,19)/b15-6+.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 339.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5423591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).