N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide

C17H16N4O2 — CID 135533788

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C17H16N4O2/c1-12-8-9-21(20-12)11-17(23)19-18-10-15-14-5-3-2-4-13(14)6-7-16(15)22/h2-10,22H,11H2,1H3,(H,19,23)/b18-10+
InChIKeyXDTCFDDJKSPDLN-VCHYOVAHSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 135533788) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID135533788
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C17H16N4O2/c1-12-8-9-21(20-12)11-17(23)19-18-10-15-14-5-3-2-4-13(14)6-7-16(15)22/h2-10,22H,11H2,1H3,(H,19,23)/b18-10+
InChIKeyXDTCFDDJKSPDLN-VCHYOVAHSA-N
XLogP2.20
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135550918
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-((2-HO-1-naphthyl)methylene)propanohydrazide
CID 135479309
4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135537502
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-[(Z)-(2-hydroxynaphthalen-1-YL)methylidene]propanehydrazide
CID 135899803
N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 71577834
6-{[methyl(1H-pyrazol-3-ylmethyl)amino]methyl}-2-naphthol
CID 74232118
6-Fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol
CID 159544927
2-(1H-1,2,3-Benzotriazol-1-YL)-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135804458
(e)-1-(((2-(1h-Pyrazol-1-yl)ethyl)imino)methyl)naphthalen-2-ol
CID 155902986
(e)-1-(((2-(3,5-Dimethyl-1h-pyrazol-1-yl)ethyl)imino)methyl)naphthalen-2-ol
CID 155902994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide (CID 135533788) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)N/N=C/c2c(O)ccc3ccccc23)n1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is XDTCFDDJKSPDLN-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-8-9-21(20-12)11-17(23)19-18-10-15-14-5-3-2-4-13(14)6-7-16(15)22/h2-10,22H,11H2,1H3,(H,19,23)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 135533788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).