N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide

C21H18N6O4S — CID 55527463

IUPACN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide
SMILESCc1cc(CSc2ncccc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)no1
InChIInChI=1S/C21H18N6O4S/c1-13-10-14(26-31-13)12-32-21-16(8-5-9-22-21)19(29)23-24-20(30)18-17(28)11-27(25-18)15-6-3-2-4-7-15/h2-11,28H,12H2,1H3,(H,23,29)(H,24,30)
InChIKeyFEZSNAVBPPUFDI-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.64
Rot. Bonds6

About N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide

N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide (PubChem CID 55527463) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide
PubChem CID55527463
Molecular FormulaC21H18N6O4S
Molecular Weight450.48 g/mol
Exact Mass450.11
IUPAC NameN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide
SMILESCc1cc(CSc2ncccc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)no1
InChIInChI=1S/C21H18N6O4S/c1-13-10-14(26-31-13)12-32-21-16(8-5-9-22-21)19(29)23-24-20(30)18-17(28)11-27(25-18)15-6-3-2-4-7-15/h2-11,28H,12H2,1H3,(H,23,29)(H,24,30)
InChIKeyFEZSNAVBPPUFDI-UHFFFAOYSA-N
XLogP2.64
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.64
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

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide
CID 37346068
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
CID 120828272
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 9463227
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
CID 43047504

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide (CID 55527463) is N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide is Cc1cc(CSc2ncccc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)no1.
What is the InChIKey of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide?
The InChIKey is FEZSNAVBPPUFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4S/c1-13-10-14(26-31-13)12-32-21-16(8-5-9-22-21)19(29)23-24-20(30)18-17(28)11-27(25-18)15-6-3-2-4-7-15/h2-11,28H,12H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide?
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide has a molecular weight of 450.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 55527463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).