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

C15H13N5O2 — CID 6872294

IUPAC5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)n[nH]2)o1
InChIInChI=1S/C15H13N5O2/c1-10-4-5-14(22-10)12-7-13(19-18-12)15(21)20-17-9-11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyGODWNBQZBRVFTQ-RQZCQDPDSA-N
MW295.30 g/mol
LogP2.14
Rot. Bonds4

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

5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6872294) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6872294
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)n[nH]2)o1
InChIInChI=1S/C15H13N5O2/c1-10-4-5-14(22-10)12-7-13(19-18-12)15(21)20-17-9-11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+
InChIKeyGODWNBQZBRVFTQ-RQZCQDPDSA-N
XLogP2.14
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.14
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-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6872294) is 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is GODWNBQZBRVFTQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-10-4-5-14(22-10)12-7-13(19-18-12)15(21)20-17-9-11-3-2-6-16-8-11/h2-9H,1H3,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6872294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).