N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

C15H12N4O2 — CID 6866574

IUPACN-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H12N4O2/c20-15(19-16-10-12-7-4-8-21-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-10H,(H,17,18)(H,19,20)/b16-10+
InChIKeyOPUHZCUNJBCESL-MHWRWJLKSA-N
MW280.29 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 6866574) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID6866574
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H12N4O2/c20-15(19-16-10-12-7-4-8-21-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-10H,(H,17,18)(H,19,20)/b16-10+
InChIKeyOPUHZCUNJBCESL-MHWRWJLKSA-N
XLogP2.43
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 6866574) is N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OPUHZCUNJBCESL-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(19-16-10-12-7-4-8-21-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-10H,(H,17,18)(H,19,20)/b16-10+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6866574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).