N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C15H19N5O — CID 7966500

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESC/C(=N/NC(=O)Cn1nc(C)cc1C)c1cccc(N)c1
InChIInChI=1S/C15H19N5O/c1-10-7-11(2)20(19-10)9-15(21)18-17-12(3)13-5-4-6-14(16)8-13/h4-8H,9,16H2,1-3H3,(H,18,21)/b17-12-
InChIKeyPKAMMDXZBPWPKJ-ATVHPVEESA-N
MW285.35 g/mol
LogP1.62
Rot. Bonds4

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 7966500) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID7966500
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESC/C(=N/NC(=O)Cn1nc(C)cc1C)c1cccc(N)c1
InChIInChI=1S/C15H19N5O/c1-10-7-11(2)20(19-10)9-15(21)18-17-12(3)13-5-4-6-14(16)8-13/h4-8H,9,16H2,1-3H3,(H,18,21)/b17-12-
InChIKeyPKAMMDXZBPWPKJ-ATVHPVEESA-N
XLogP1.62
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135582560
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 78600372
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
CID 55352961
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 7966500) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide is C/C(=N/NC(=O)Cn1nc(C)cc1C)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is PKAMMDXZBPWPKJ-ATVHPVEESA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-7-11(2)20(19-10)9-15(21)18-17-12(3)13-5-4-6-14(16)8-13/h4-8H,9,16H2,1-3H3,(H,18,21)/b17-12-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 7966500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).