2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide

C24H21N5O — CID 6906283

IUPAC2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H21N5O/c30-23(17-25-21-12-6-2-7-13-21)27-26-16-20-18-29(22-14-8-3-9-15-22)28-24(20)19-10-4-1-5-11-19/h1-16,18,25H,17H2,(H,27,30)/b26-16+
InChIKeyIUCUMFICPJQPJT-WGOQTCKBSA-N
MW395.47 g/mol
LogP4.10
Rot. Bonds7

About 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide

2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 6906283) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID6906283
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H21N5O/c30-23(17-25-21-12-6-2-7-13-21)27-26-16-20-18-29(22-14-8-3-9-15-22)28-24(20)19-10-4-1-5-11-19/h1-16,18,25H,17H2,(H,27,30)/b26-16+
InChIKeyIUCUMFICPJQPJT-WGOQTCKBSA-N
XLogP4.10
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.10
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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Related Compounds

[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea
CID 6895242
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6258408
(E)-N-(2-aminophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
CID 60198484
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484723
Ipazilide
CID 60650
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylamide
CID 1345642
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2104088
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
CID 2104090
N-(1,3-diphenyl-1H-pyrazol-4-yl)benzamide
CID 2110831
2-chloro-N-(1,3-diphenylpyrazol-4-yl)acetamide
CID 2319244

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide (CID 6906283) is 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is IUCUMFICPJQPJT-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H21N5O/c30-23(17-25-21-12-6-2-7-13-21)27-26-16-20-18-29(22-14-8-3-9-15-22)28-24(20)19-10-4-1-5-11-19/h1-16,18,25H,17H2,(H,27,30)/b26-16+.
What are the key properties of 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide?
2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 395.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 6906283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).