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

C14H18N4O2 — CID 6885163

IUPACN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C
InChIInChI=1S/C14H18N4O2/c1-5-18-10(3)13(9(2)17-18)8-15-16-14(19)12-6-7-20-11(12)4/h6-8H,5H2,1-4H3,(H,16,19)/b15-8+
InChIKeyFVDNYVCGSZCVJN-OVCLIPMQSA-N
MW274.32 g/mol
LogP2.19
Rot. Bonds4

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

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6885163) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6885163
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C
InChIInChI=1S/C14H18N4O2/c1-5-18-10(3)13(9(2)17-18)8-15-16-14(19)12-6-7-20-11(12)4/h6-8H,5H2,1-4H3,(H,16,19)/b15-8+
InChIKeyFVDNYVCGSZCVJN-OVCLIPMQSA-N
XLogP2.19
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.19
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

Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5412168
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9556917
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5976730
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 6861731
N-((1E)-2-(2-furyl)-1-azavinyl){4-[(3,5-dimethylpyrazolyl)methyl]phenyl}carbox amide
CID 9562977
(3,5-Dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
CID 695657
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 53585791
(2-Methylfuran-3-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53606456
1-[(2-Methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71990490
1-[(2-Methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 71990495
[2-(5-Methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 72143371

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide (CID 6885163) is N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide is CCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C.
What is the InChIKey of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is FVDNYVCGSZCVJN-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-5-18-10(3)13(9(2)17-18)8-15-16-14(19)12-6-7-20-11(12)4/h6-8H,5H2,1-4H3,(H,16,19)/b15-8+.
What are the key properties of N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6885163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).