N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide

C24H22N4O2 — CID 56642966

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H22N4O2/c1-30-22-15-9-8-10-18(22)17-25-27-23(29)21-16-24(28-26-21,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,28H,16H2,1H3,(H,27,29)/b25-17+
InChIKeyRJEYCXHLEGVJBC-KOEQRZSOSA-N
MW398.47 g/mol
LogP3.44
Rot. Bonds6

About N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide (PubChem CID 56642966) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
PubChem CID56642966
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H22N4O2/c1-30-22-15-9-8-10-18(22)17-25-27-23(29)21-16-24(28-26-21,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,28H,16H2,1H3,(H,27,29)/b25-17+
InChIKeyRJEYCXHLEGVJBC-KOEQRZSOSA-N
XLogP3.44
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.44
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 N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide (CID 56642966) is N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide is COc1ccccc1/C=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is RJEYCXHLEGVJBC-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-22-15-9-8-10-18(22)17-25-27-23(29)21-16-24(28-26-21,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15,17,28H,16H2,1H3,(H,27,29)/b25-17+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 56642966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).