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

C13H16N4O2 — CID 5400166

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2ccc(C)o2)n1
InChIInChI=1S/C13H16N4O2/c1-9-6-10(2)17(16-9)8-13(18)15-14-7-12-5-4-11(3)19-12/h4-7H,8H2,1-3H3,(H,15,18)/b14-7+
InChIKeyAWQLQYCNPCNDQG-VGOFMYFVSA-N
MW260.30 g/mol
LogP1.55
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5400166) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5400166
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2ccc(C)o2)n1
InChIInChI=1S/C13H16N4O2/c1-9-6-10(2)17(16-9)8-13(18)15-14-7-12-5-4-11(3)19-12/h4-7H,8H2,1-3H3,(H,15,18)/b14-7+
InChIKeyAWQLQYCNPCNDQG-VGOFMYFVSA-N
XLogP1.55
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.55
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-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
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
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(5-methyl-2-furyl)methylene]acetohydrazide
CID 5412738
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
CID 5423591
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)-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
5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 24982091

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5400166) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2ccc(C)o2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is AWQLQYCNPCNDQG-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-6-10(2)17(16-9)8-13(18)15-14-7-12-5-4-11(3)19-12/h4-7H,8H2,1-3H3,(H,15,18)/b14-7+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5400166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).