N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C23H21N5O5S — CID 46657516

IUPACN'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2nc(CC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cs2)cc1OC
InChIInChI=1S/C23H21N5O5S/c1-32-18-9-8-14(10-19(18)33-2)23-24-15(13-34-23)11-20(30)25-26-22(31)21-17(29)12-28(27-21)16-6-4-3-5-7-16/h3-10,12-13,29H,11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyMYWLNHBZHCMHSJ-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.72
Rot. Bonds7

About N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46657516) has the molecular formula C23H21N5O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID46657516
Molecular FormulaC23H21N5O5S
Molecular Weight479.52 g/mol
Exact Mass479.13
IUPAC NameN'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2nc(CC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cs2)cc1OC
InChIInChI=1S/C23H21N5O5S/c1-32-18-9-8-14(10-19(18)33-2)23-24-15(13-34-23)11-20(30)25-26-22(31)21-17(29)12-28(27-21)16-6-4-3-5-7-16/h3-10,12-13,29H,11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyMYWLNHBZHCMHSJ-UHFFFAOYSA-N
XLogP2.72
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523414
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46491466
2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46414125
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55583357
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 46657516) is N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is COc1ccc(-c2nc(CC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cs2)cc1OC.
What is the InChIKey of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is MYWLNHBZHCMHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S/c1-32-18-9-8-14(10-19(18)33-2)23-24-15(13-34-23)11-20(30)25-26-22(31)21-17(29)12-28(27-21)16-6-4-3-5-7-16/h3-10,12-13,29H,11H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 479.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46657516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).