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

C13H10N4O3 — CID 6862082

IUPAC5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H10N4O3/c18-13(17-14-8-9-3-1-5-19-9)11-7-10(15-16-11)12-4-2-6-20-12/h1-8H,(H,15,16)(H,17,18)/b14-8+
InChIKeySJPVPGYHXMIZKS-RIYZIHGNSA-N
MW270.25 g/mol
LogP2.03
Rot. Bonds4

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

5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6862082) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6862082
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H10N4O3/c18-13(17-14-8-9-3-1-5-19-9)11-7-10(15-16-11)12-4-2-6-20-12/h1-8H,(H,15,16)(H,17,18)/b14-8+
InChIKeySJPVPGYHXMIZKS-RIYZIHGNSA-N
XLogP2.03
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
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 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6862082) is 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1ccco1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is SJPVPGYHXMIZKS-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(17-14-8-9-3-1-5-19-9)11-7-10(15-16-11)12-4-2-6-20-12/h1-8H,(H,15,16)(H,17,18)/b14-8+.
What are the key properties of 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).