5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide

C24H22N4O3 — CID 55789997

IUPAC5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O3/c1-16-14-22(27-28(16)20-10-4-3-5-11-20)24(30)26-25-23(29)17(2)31-21-13-12-18-8-6-7-9-19(18)15-21/h3-15,17H,1-2H3,(H,25,29)(H,26,30)
InChIKeyYHMAOAOWIWOZJR-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.56
Rot. Bonds5

About 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide

5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide (PubChem CID 55789997) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide
PubChem CID55789997
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O3/c1-16-14-22(27-28(16)20-10-4-3-5-11-20)24(30)26-25-23(29)17(2)31-21-13-12-18-8-6-7-9-19(18)15-21/h3-15,17H,1-2H3,(H,25,29)(H,26,30)
InChIKeyYHMAOAOWIWOZJR-UHFFFAOYSA-N
XLogP3.56
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide (CID 55789997) is 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C(C)Oc2ccc3ccccc3c2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is YHMAOAOWIWOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-14-22(27-28(16)20-10-4-3-5-11-20)24(30)26-25-23(29)17(2)31-21-13-12-18-8-6-7-9-19(18)15-21/h3-15,17H,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide?
5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 414.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 55789997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).