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

C15H14N4O2S — CID 44723969

IUPAC5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1cccs1
InChIInChI=1S/C15H14N4O2S/c1-9-5-6-13(21-9)11-8-12(18-17-11)15(20)19-16-10(2)14-4-3-7-22-14/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-10+
InChIKeyJOIYCAKNPPNAFI-MHWRWJLKSA-N
MW314.37 g/mol
LogP3.19
Rot. Bonds4

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

5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 44723969) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID44723969
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1cccs1
InChIInChI=1S/C15H14N4O2S/c1-9-5-6-13(21-9)11-8-12(18-17-11)15(20)19-16-10(2)14-4-3-7-22-14/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-10+
InChIKeyJOIYCAKNPPNAFI-MHWRWJLKSA-N
XLogP3.19
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.19
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)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide (CID 44723969) is 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1cccs1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is JOIYCAKNPPNAFI-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-5-6-13(21-9)11-8-12(18-17-11)15(20)19-16-10(2)14-4-3-7-22-14/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-10+.
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.19, 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)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 44723969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).