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

C16H14N4O2 — CID 6862336

IUPACN-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)n[nH]2)o1
InChIInChI=1S/C16H14N4O2/c1-11-7-8-15(22-11)13-9-14(19-18-13)16(21)20-17-10-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKeyVRSTVWIVRJEDEL-LICLKQGHSA-N
MW294.31 g/mol
LogP2.74
Rot. Bonds4

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

N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6862336) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6862336
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)n[nH]2)o1
InChIInChI=1S/C16H14N4O2/c1-11-7-8-15(22-11)13-9-14(19-18-13)16(21)20-17-10-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKeyVRSTVWIVRJEDEL-LICLKQGHSA-N
XLogP2.74
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.74
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)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 6862336) is N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)n[nH]2)o1.
What is the InChIKey of N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is VRSTVWIVRJEDEL-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-7-8-15(22-11)13-9-14(19-18-13)16(21)20-17-10-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+.
What are the key properties of N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).