4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C26H24N4O3 — CID 26901799

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)cc2)n1
InChIInChI=1S/C26H24N4O3/c1-18-16-19(2)30(29-18)22-14-12-21(13-15-22)26(32)28-27-25(31)17-33-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyBMSDCRYUPIXUHN-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.00
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 26901799) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID26901799
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)cc2)n1
InChIInChI=1S/C26H24N4O3/c1-18-16-19(2)30(29-18)22-14-12-21(13-15-22)26(32)28-27-25(31)17-33-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyBMSDCRYUPIXUHN-UHFFFAOYSA-N
XLogP4.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 26821351
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 27568317
4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 55495546
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 26901799) is 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is BMSDCRYUPIXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-16-19(2)30(29-18)22-14-12-21(13-15-22)26(32)28-27-25(31)17-33-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 440.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26901799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).