N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide

C22H24N4O4 — CID 55755097

IUPACN'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-29-18-10-12-19(13-11-18)30-16(3)21(27)23-24-22(28)20-14-15(2)26(25-20)17-8-6-5-7-9-17/h5-14,16H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIOQLNCBQTOWYKJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.81
Rot. Bonds7

About N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide

N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide (PubChem CID 55755097) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide
PubChem CID55755097
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-29-18-10-12-19(13-11-18)30-16(3)21(27)23-24-22(28)20-14-15(2)26(25-20)17-8-6-5-7-9-17/h5-14,16H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIOQLNCBQTOWYKJ-UHFFFAOYSA-N
XLogP2.81
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31211747
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
N-[(1S)-3-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9343396
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9088688

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide (CID 55755097) is N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is IOQLNCBQTOWYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-29-18-10-12-19(13-11-18)30-16(3)21(27)23-24-22(28)20-14-15(2)26(25-20)17-8-6-5-7-9-17/h5-14,16H,4H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 408.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 55755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).