N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C17H16N4O2 — CID 5410818

IUPACN-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1/C=N\NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C17H16N4O2/c1-13-5-2-3-6-14(13)11-18-20-17(22)16-8-7-15(23-16)12-21-10-4-9-19-21/h2-11H,12H2,1H3,(H,20,22)/b18-11-
InChIKeySPAFIDLFOCZKNN-WQRHYEAKSA-N
MW308.34 g/mol
LogP2.60
Rot. Bonds5

About N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 5410818) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID5410818
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1ccccc1/C=N\NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C17H16N4O2/c1-13-5-2-3-6-14(13)11-18-20-17(22)16-8-7-15(23-16)12-21-10-4-9-19-21/h2-11H,12H2,1H3,(H,20,22)/b18-11-
InChIKeySPAFIDLFOCZKNN-WQRHYEAKSA-N
XLogP2.60
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.60
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-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 5410818) is N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is Cc1ccccc1/C=N\NC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is SPAFIDLFOCZKNN-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-13-5-2-3-6-14(13)11-18-20-17(22)16-8-7-15(23-16)12-21-10-4-9-19-21/h2-11H,12H2,1H3,(H,20,22)/b18-11-.
What are the key properties of N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 5410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).