2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

C22H21N5O — CID 4854849

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)n1
InChIInChI=1S/C22H21N5O/c1-15-12-16(2)27(26-15)14-21(28)25-23-13-19-18-10-6-7-11-20(18)24-22(19)17-8-4-3-5-9-17/h3-13,24H,14H2,1-2H3,(H,25,28)
InChIKeyJFSRMZLVDGPNHN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 4854849) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID4854849
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)n1
InChIInChI=1S/C22H21N5O/c1-15-12-16(2)27(26-15)14-21(28)25-23-13-19-18-10-6-7-11-20(18)24-22(19)17-8-4-3-5-9-17/h3-13,24H,14H2,1-2H3,(H,25,28)
InChIKeyJFSRMZLVDGPNHN-UHFFFAOYSA-N
XLogP3.80
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
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

2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135725807
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 745941
N-[(E)-(3-bromophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6887625
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135674723
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
CID 172948018
N-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6889379
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5400153

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (CID 4854849) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is Cc1cc(C)n(CC(=O)NN=Cc2c(-c3ccccc3)[nH]c3ccccc23)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is JFSRMZLVDGPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-12-16(2)27(26-15)14-21(28)25-23-13-19-18-10-6-7-11-20(18)24-22(19)17-8-4-3-5-9-17/h3-13,24H,14H2,1-2H3,(H,25,28).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 4854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).