N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C16H13ClN4O2 — CID 5410785

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H13ClN4O2/c17-13-4-1-3-12(9-13)10-18-20-16(22)15-6-5-14(23-15)11-21-8-2-7-19-21/h1-10H,11H2,(H,20,22)/b18-10-
InChIKeyPDFMWEPABOYSOO-ZDLGFXPLSA-N
MW328.76 g/mol
LogP2.94
Rot. Bonds5

About N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 5410785) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID5410785
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H13ClN4O2/c17-13-4-1-3-12(9-13)10-18-20-16(22)15-6-5-14(23-15)11-21-8-2-7-19-21/h1-10H,11H2,(H,20,22)/b18-10-
InChIKeyPDFMWEPABOYSOO-ZDLGFXPLSA-N
XLogP2.94
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.94
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)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 5410785) is N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(N/N=C\c1cccc(Cl)c1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is PDFMWEPABOYSOO-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-13-4-1-3-12(9-13)10-18-20-16(22)15-6-5-14(23-15)11-21-8-2-7-19-21/h1-10H,11H2,(H,20,22)/b18-10-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 5410785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).