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

C11H12N4O2 — CID 6882179

IUPACN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESCc1nn(C)cc1/C=N/NC(=O)c1ccco1
InChIInChI=1S/C11H12N4O2/c1-8-9(7-15(2)14-8)6-12-13-11(16)10-4-3-5-17-10/h3-7H,1-2H3,(H,13,16)/b12-6+
InChIKeyIRWCNNCGHYUGES-WUXMJOGZSA-N
MW232.24 g/mol
LogP1.09
Rot. Bonds3

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

N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (PubChem CID 6882179) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
PubChem CID6882179
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESCc1nn(C)cc1/C=N/NC(=O)c1ccco1
InChIInChI=1S/C11H12N4O2/c1-8-9(7-15(2)14-8)6-12-13-11(16)10-4-3-5-17-10/h3-7H,1-2H3,(H,13,16)/b12-6+
InChIKeyIRWCNNCGHYUGES-WUXMJOGZSA-N
XLogP1.09
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.09
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-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (CID 6882179) is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is Cc1nn(C)cc1/C=N/NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is IRWCNNCGHYUGES-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-9(7-15(2)14-8)6-12-13-11(16)10-4-3-5-17-10/h3-7H,1-2H3,(H,13,16)/b12-6+.
What are the key properties of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6882179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).