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

C11H12N4O2 — CID 936291

IUPACN-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1ccco1
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)
InChIKeyDHKUIWIQNKUKGL-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.93
Rot. Bonds4

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

N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 936291) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID936291
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NN=Cc1ccco1
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)
InChIKeyDHKUIWIQNKUKGL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide (CID 936291) is N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is DHKUIWIQNKUKGL-UHFFFAOYSA-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).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide?
N-(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-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 936291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).