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

C12H14N4O2 — CID 5412168

IUPACN-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cnn(C)c1C
InChIInChI=1S/C12H14N4O2/c1-8-10(7-14-16(8)3)6-13-15-12(17)11-4-5-18-9(11)2/h4-7H,1-3H3,(H,15,17)/b13-6+
InChIKeyHGEMHQLEZQWHRL-AWNIVKPZSA-N
MW246.27 g/mol
LogP1.39
Rot. Bonds3

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

N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5412168) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5412168
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cnn(C)c1C
InChIInChI=1S/C12H14N4O2/c1-8-10(7-14-16(8)3)6-13-15-12(17)11-4-5-18-9(11)2/h4-7H,1-3H3,(H,15,17)/b13-6+
InChIKeyHGEMHQLEZQWHRL-AWNIVKPZSA-N
XLogP1.39
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.39
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

2-Methyl-furan-3-carboxylic acid pyridin-2-ylmethylene-hydrazide
CID 6871824
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 6885163
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N'-[1-(2-furyl)ethylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 9600460
2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
CID 1244259
N'-[(E)-furan-2-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6880038
4-(4-{[(2-methylfuran-3-yl)carbonyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 4919606
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 6882179
2-methyl-N'-(1H-pyrrol-2-ylmethylene)-3-furohydrazide
CID 135411544
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
(3,5-Dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
CID 695657

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide (CID 5412168) is N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C/c1cnn(C)c1C.
What is the InChIKey of N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is HGEMHQLEZQWHRL-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-10(7-14-16(8)3)6-13-15-12(17)11-4-5-18-9(11)2/h4-7H,1-3H3,(H,15,17)/b13-6+.
What are the key properties of N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5412168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).