N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H11F3N4O2 — CID 4168533

IUPACN-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1
InChIInChI=1S/C12H11F3N4O2/c1-8(9-3-2-6-21-9)16-17-11(20)7-19-5-4-10(18-19)12(13,14)15/h2-6H,7H2,1H3,(H,17,20)
InChIKeyIBSFNUFZEOSTOU-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4168533) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4168533
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1
InChIInChI=1S/C12H11F3N4O2/c1-8(9-3-2-6-21-9)16-17-11(20)7-19-5-4-10(18-19)12(13,14)15/h2-6H,7H2,1H3,(H,17,20)
InChIKeyIBSFNUFZEOSTOU-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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'-(1-(2-Furyl)ethylidene)-2-(1-methyl-1H-pyrrol-2-YL)acetohydrazide
CID 5395312
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6862517
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
N'-[1-(2-furyl)ethylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 9600460
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
N'-[1-(2-furyl)ethylidene]-2-pyridinecarbohydrazide
CID 5402012
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-4-nitropyrazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5423737
N'-(3-(2-Furyl)-2-propenylidene)-2-(1-methyl-1H-pyrrol-2-YL)acetohydrazide
CID 1584487

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4168533) is N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IBSFNUFZEOSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-8(9-3-2-6-21-9)16-17-11(20)7-19-5-4-10(18-19)12(13,14)15/h2-6H,7H2,1H3,(H,17,20).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 300.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4168533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).