N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H11F3N4O2 — CID 6908235

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C12H11F3N4O2/c1-8-2-3-9(21-8)6-16-17-11(20)7-19-5-4-10(18-19)12(13,14)15/h2-6H,7H2,1H3,(H,17,20)/b16-6+
InChIKeyAPWZCJVARRPPAQ-OMCISZLKSA-N
MW300.24 g/mol
LogP1.95
Rot. Bonds4

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

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 6908235) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID6908235
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C12H11F3N4O2/c1-8-2-3-9(21-8)6-16-17-11(20)7-19-5-4-10(18-19)12(13,14)15/h2-6H,7H2,1H3,(H,17,20)/b16-6+
InChIKeyAPWZCJVARRPPAQ-OMCISZLKSA-N
XLogP1.95
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.95
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

N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 25163116
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-(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
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 5423581
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)-1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9650873
N'-[(1Z)-(5-methyl-2-furyl)methylene]-2-(1-methyl-1H-pyrrol-2-yl)acetohydrazide
CID 6266439
5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 24982091

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 6908235) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is APWZCJVARRPPAQ-OMCISZLKSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-8-2-3-9(21-8)6-16-17-11(20)7-19-5-4-10(18-19)12(13,14)15/h2-6H,7H2,1H3,(H,17,20)/b16-6+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 300.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 6908235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).