5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C15H11N5O4 — CID 5395120

IUPAC5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11N5O4/c21-15(13-8-12(17-18-13)14-2-1-7-24-14)19-16-9-10-3-5-11(6-4-10)20(22)23/h1-9H,(H,17,18)(H,19,21)/b16-9-
InChIKeyDUFNBILXFNXADS-SXGWCWSVSA-N
MW325.28 g/mol
LogP2.34
Rot. Bonds5

About 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5395120) has the molecular formula C15H11N5O4 and a molecular weight of 325.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5395120
Molecular FormulaC15H11N5O4
Molecular Weight325.28 g/mol
Exact Mass325.08
IUPAC Name5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11N5O4/c21-15(13-8-12(17-18-13)14-2-1-7-24-14)19-16-9-10-3-5-11(6-4-10)20(22)23/h1-9H,(H,17,18)(H,19,21)/b16-9-
InChIKeyDUFNBILXFNXADS-SXGWCWSVSA-N
XLogP2.34
TPSA126.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 5395120) is 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is DUFNBILXFNXADS-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H11N5O4/c21-15(13-8-12(17-18-13)14-2-1-7-24-14)19-16-9-10-3-5-11(6-4-10)20(22)23/h1-9H,(H,17,18)(H,19,21)/b16-9-.
What are the key properties of 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 325.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5395120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).