4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

C24H22N4O2 — CID 55495546

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc2)n1
InChIInChI=1S/C24H22N4O2/c1-16-14-17(2)28(27-16)21-12-10-19(11-13-21)24(30)26-25-23(29)15-20-8-5-7-18-6-3-4-9-22(18)20/h3-14H,15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNIXSAOHUWRWJTJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.65
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (PubChem CID 55495546) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
PubChem CID55495546
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc2)n1
InChIInChI=1S/C24H22N4O2/c1-16-14-17(2)28(27-16)21-12-10-19(11-13-21)24(30)26-25-23(29)15-20-8-5-7-18-6-3-4-9-22(18)20/h3-14H,15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNIXSAOHUWRWJTJ-UHFFFAOYSA-N
XLogP3.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156
N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
[2-(benzylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588629
2-naphthalen-1-yl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]acetamide
CID 7677981
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 26821351

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (CID 55495546) is 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The InChIKey is NIXSAOHUWRWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-14-17(2)28(27-16)21-12-10-19(11-13-21)24(30)26-25-23(29)15-20-8-5-7-18-6-3-4-9-22(18)20/h3-14H,15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide has a molecular weight of 398.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 55495546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).