N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide

C21H22N4O3 — CID 9425429

IUPACN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1C
InChIInChI=1S/C21H22N4O3/c1-14-8-7-11-19(15(14)2)28-16(3)20(26)23-24-21(27)17-12-22-25(13-17)18-9-5-4-6-10-18/h4-13,16H,1-3H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyKNXBVCAIEQIIFW-MRXNPFEDSA-N
MW378.43 g/mol
LogP2.72
Rot. Bonds5

About N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide (PubChem CID 9425429) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
PubChem CID9425429
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1C
InChIInChI=1S/C21H22N4O3/c1-14-8-7-11-19(15(14)2)28-16(3)20(26)23-24-21(27)17-12-22-25(13-17)18-9-5-4-6-10-18/h4-13,16H,1-3H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyKNXBVCAIEQIIFW-MRXNPFEDSA-N
XLogP2.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.72
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
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9425399
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
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
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
ethyl 1-[4-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 46403422
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide (CID 9425429) is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1C.
What is the InChIKey of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is KNXBVCAIEQIIFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-8-7-11-19(15(14)2)28-16(3)20(26)23-24-21(27)17-12-22-25(13-17)18-9-5-4-6-10-18/h4-13,16H,1-3H3,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide?
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 378.43 g/mol, XLogP of 2.72, 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]-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9425429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).