3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide

C17H16N4O2S — CID 155393131

IUPAC3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNSc2ccccc2)cc(-n2cccn2)c1
InChIInChI=1S/C17H16N4O2S/c1-23-15-11-13(10-14(12-15)21-9-5-8-18-21)17(22)19-20-24-16-6-3-2-4-7-16/h2-12,20H,1H3,(H,19,22)
InChIKeyUNEDHGWBDGDAER-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.82
Rot. Bonds6

About 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide

3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide (PubChem CID 155393131) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide
PubChem CID155393131
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNSc2ccccc2)cc(-n2cccn2)c1
InChIInChI=1S/C17H16N4O2S/c1-23-15-11-13(10-14(12-15)21-9-5-8-18-21)17(22)19-20-24-16-6-3-2-4-7-16/h2-12,20H,1H3,(H,19,22)
InChIKeyUNEDHGWBDGDAER-UHFFFAOYSA-N
XLogP2.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-pyrazol-1-ylphenol
CID 165141321
3-ethoxy-N'-phenylsulfanylbenzohydrazide
CID 155393059
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9496112
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-(3-methoxy-5-pyrazol-1-ylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 136538638
N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
N'-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)-5-methoxybenzohydrazide
CID 155393058
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 8956278

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide?
The IUPAC name of 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide (CID 155393131) is 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide?
The canonical SMILES for 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide is COc1cc(C(=O)NNSc2ccccc2)cc(-n2cccn2)c1.
What is the InChIKey of 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide?
The InChIKey is UNEDHGWBDGDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-15-11-13(10-14(12-15)21-9-5-8-18-21)17(22)19-20-24-16-6-3-2-4-7-16/h2-12,20H,1H3,(H,19,22).
What are the key properties of 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide?
3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide has a molecular weight of 340.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide is sourced from PubChem (CID 155393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).