N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C22H18N4O3 — CID 40591056

IUPACN'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H18N4O3/c27-21(14-29-18-11-10-15-6-4-5-9-17(15)12-18)25-26-22(28)20-13-19(23-24-20)16-7-2-1-3-8-16/h1-13H,14H2,(H,23,24)(H,25,27)(H,26,28)
InChIKeyZDKZDXZQKKWUDQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.07
Rot. Bonds5

About N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 40591056) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID40591056
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H18N4O3/c27-21(14-29-18-11-10-15-6-4-5-9-17(15)12-18)25-26-22(28)20-13-19(23-24-20)16-7-2-1-3-8-16/h1-13H,14H2,(H,23,24)(H,25,27)(H,26,28)
InChIKeyZDKZDXZQKKWUDQ-UHFFFAOYSA-N
XLogP3.07
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 55791873
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 3108609
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
CID 4935803

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 40591056) is N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZDKZDXZQKKWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-21(14-29-18-11-10-15-6-4-5-9-17(15)12-18)25-26-22(28)20-13-19(23-24-20)16-7-2-1-3-8-16/h1-13H,14H2,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 40591056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).