N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C16H14N4O2 — CID 5342745

IUPACN-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)14-9-15(19-18-14)16(21)20-17-10-13-3-2-8-22-13/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKeyWBSDXXBRYKRWCA-LICLKQGHSA-N
MW294.31 g/mol
LogP2.74
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 5342745) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID5342745
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)14-9-15(19-18-14)16(21)20-17-10-13-3-2-8-22-13/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+
InChIKeyWBSDXXBRYKRWCA-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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Related Compounds

N'-(2-Furylmethylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6864219
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5343127
5-(5-methylfuran-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6146666
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
5-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 9634281
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135616972
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
(E)-3-cyclopropyl-N'-(furan-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6888675
N'-(1-(2-Furyl)ethylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 21157581
5-(4-Isobutoxy-phenyl)-2H-pyrazole-3-carboxylic acid hydrazide
CID 946051
5-tert-Butyl-2H-pyrazole-3-carboxylic acid furan-2-ylmethylene-hydrazide
CID 5332549

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 5342745) is N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WBSDXXBRYKRWCA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-4-6-12(7-5-11)14-9-15(19-18-14)16(21)20-17-10-13-3-2-8-22-13/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-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)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5342745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).