N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide

C26H18N4O3 — CID 6900120

IUPACN-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H18N4O3/c31-25-19(17-33-23-14-8-7-13-21(23)25)15-27-28-26(32)22-16-30(20-11-5-2-6-12-20)29-24(22)18-9-3-1-4-10-18/h1-17H,(H,28,32)/b27-15+
InChIKeyFSOUXOQPXDHNJH-JFLMPSFJSA-N
MW434.46 g/mol
LogP4.41
Rot. Bonds5

About N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide

N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 6900120) has the molecular formula C26H18N4O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID6900120
Molecular FormulaC26H18N4O3
Molecular Weight434.46 g/mol
Exact Mass434.14
IUPAC NameN-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H18N4O3/c31-25-19(17-33-23-14-8-7-13-21(23)25)15-27-28-26(32)22-16-30(20-11-5-2-6-12-20)29-24(22)18-9-3-1-4-10-18/h1-17H,(H,28,32)/b27-15+
InChIKeyFSOUXOQPXDHNJH-JFLMPSFJSA-N
XLogP4.41
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide (CID 6900120) is N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is O=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is FSOUXOQPXDHNJH-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H18N4O3/c31-25-19(17-33-23-14-8-7-13-21(23)25)15-27-28-26(32)22-16-30(20-11-5-2-6-12-20)29-24(22)18-9-3-1-4-10-18/h1-17H,(H,28,32)/b27-15+.
What are the key properties of N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 6900120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).