N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide

C22H24N4O3 — CID 7780034

IUPACN'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-16-12-17(2)26(25-16)14-21(27)23-24-22(28)15-29-20-11-7-6-10-19(20)13-18-8-4-3-5-9-18/h3-12H,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFJRAIOOHPOAUKP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.32
Rot. Bonds7

About N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide

N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide (PubChem CID 7780034) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
PubChem CID7780034
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-16-12-17(2)26(25-16)14-21(27)23-24-22(28)15-29-20-11-7-6-10-19(20)13-18-8-4-3-5-9-18/h3-12H,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFJRAIOOHPOAUKP-UHFFFAOYSA-N
XLogP2.32
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.32
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

2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 38766462
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
2-(2-benzylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 60521789
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-fluorophenyl)acetohydrazide
CID 27225851
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide (CID 7780034) is N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2Cc2ccccc2)n1.
What is the InChIKey of N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide?
The InChIKey is FJRAIOOHPOAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-12-17(2)26(25-16)14-21(27)23-24-22(28)15-29-20-11-7-6-10-19(20)13-18-8-4-3-5-9-18/h3-12H,13-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide?
N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide has a molecular weight of 392.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide is sourced from PubChem (CID 7780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).