N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C23H24N4O6 — CID 46491466

IUPACN'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C23H24N4O6/c1-15(28)16-10-11-19(20(13-16)32-2)33-12-6-9-21(30)24-25-23(31)22-18(29)14-27(26-22)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,29H,6,9,12H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyJUGLVOFLXJWLPM-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.41
Rot. Bonds9

About N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46491466) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID46491466
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC NameN'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C23H24N4O6/c1-15(28)16-10-11-19(20(13-16)32-2)33-12-6-9-21(30)24-25-23(31)22-18(29)14-27(26-22)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,29H,6,9,12H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyJUGLVOFLXJWLPM-UHFFFAOYSA-N
XLogP2.41
TPSA131.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide
CID 46657547
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657516
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
CID 46578325
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 55352186
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46578336
4-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 112798288
4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657656

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 46491466) is N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is COc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is JUGLVOFLXJWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-15(28)16-10-11-19(20(13-16)32-2)33-12-6-9-21(30)24-25-23(31)22-18(29)14-27(26-22)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,29H,6,9,12H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 452.47 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46491466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).