N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide

C22H24N4O3 — CID 9425399

IUPACN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-n3nccc3C)cc2)c1C
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-20(16(14)3)29-17(4)21(27)24-25-22(28)18-8-10-19(11-9-18)26-15(2)12-13-23-26/h5-13,17H,1-4H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyXEWUTQLIVBLJIH-QGZVFWFLSA-N
MW392.46 g/mol
LogP3.03
Rot. Bonds5

About N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide (PubChem CID 9425399) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
PubChem CID9425399
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-n3nccc3C)cc2)c1C
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-20(16(14)3)29-17(4)21(27)24-25-22(28)18-8-10-19(11-9-18)26-15(2)12-13-23-26/h5-13,17H,1-4H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyXEWUTQLIVBLJIH-QGZVFWFLSA-N
XLogP3.03
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.03
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

N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 51192314
ethyl 1-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 46403422
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
CID 9425429
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9088869
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
N'-[2-(2,3-dimethylphenoxy)propanoyl]-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46698275
1-(4-chlorophenyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 46537226
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 60596269

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide?
The IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide (CID 9425399) is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-n3nccc3C)cc2)c1C.
What is the InChIKey of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide?
The InChIKey is XEWUTQLIVBLJIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-6-5-7-20(16(14)3)29-17(4)21(27)24-25-22(28)18-8-10-19(11-9-18)26-15(2)12-13-23-26/h5-13,17H,1-4H3,(H,24,27)(H,25,28)/t17-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide?
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide has a molecular weight of 392.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 9425399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).