N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide

C11H12N4O2 — CID 6880038

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1ccco1
InChIInChI=1S/C11H12N4O2/c1-9-4-5-13-15(9)8-11(16)14-12-7-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,14,16)/b12-7+
InChIKeyDHKUIWIQNKUKGL-KPKJPENVSA-N
MW232.24 g/mol
LogP0.93
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 6880038) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID6880038
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1ccco1
InChIInChI=1S/C11H12N4O2/c1-9-4-5-13-15(9)8-11(16)14-12-7-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,14,16)/b12-7+
InChIKeyDHKUIWIQNKUKGL-KPKJPENVSA-N
XLogP0.93
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.93
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-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
CID 840866
2-(5-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]acetamide
CID 171131122
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 135781995
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 936942
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 5422920
N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6870596
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6862517
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (CID 6880038) is N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is DHKUIWIQNKUKGL-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-9-4-5-13-15(9)8-11(16)14-12-7-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,14,16)/b12-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 6880038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).