3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide

C18H16N4O — CID 5343058

IUPAC3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H16N4O/c1-13(14-8-4-2-5-9-14)19-22-18(23)17-12-16(20-21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)(H,22,23)/b19-13+
InChIKeyDFFFVRKDDPICFD-CPNJWEJPSA-N
MW304.35 g/mol
LogP3.23
Rot. Bonds4

About 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5343058) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5343058
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H16N4O/c1-13(14-8-4-2-5-9-14)19-22-18(23)17-12-16(20-21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)(H,22,23)/b19-13+
InChIKeyDFFFVRKDDPICFD-CPNJWEJPSA-N
XLogP3.23
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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3-phenyl-1H-pyrazole-5-carbohydrazide
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Cumyl-inaca
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide (CID 5343058) is 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide is C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is DFFFVRKDDPICFD-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13(14-8-4-2-5-9-14)19-22-18(23)17-12-16(20-21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)(H,22,23)/b19-13+.
What are the key properties of 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5343058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).