[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate

C24H20N4O4 — CID 92847965

IUPAC[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cccc(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1OC(C)=O
InChIInChI=1S/C24H20N4O4/c1-15(29)32-23-19(8-5-9-22(23)31-2)14-25-28-24(30)21-13-20(26-27-21)18-11-10-16-6-3-4-7-17(16)12-18/h3-14H,1-2H3,(H,26,27)(H,28,30)/b25-14-
InChIKeyMBEIPKPYRJNLCS-QFEZKATASA-N
MW428.45 g/mol
LogP3.93
Rot. Bonds6

About [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate

[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate (PubChem CID 92847965) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
PubChem CID92847965
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cccc(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1OC(C)=O
InChIInChI=1S/C24H20N4O4/c1-15(29)32-23-19(8-5-9-22(23)31-2)14-25-28-24(30)21-13-20(26-27-21)18-11-10-16-6-3-4-7-17(16)12-18/h3-14H,1-2H3,(H,26,27)(H,28,30)/b25-14-
InChIKeyMBEIPKPYRJNLCS-QFEZKATASA-N
XLogP3.93
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351699
3-(4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047300
N-(1H-indol-3-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351696
[4-[(E)-[[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 6891417
N-(anthracen-9-ylmethylideneamino)-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 4046792
N-[(2-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5161262
N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890815
3-(4-methylphenyl)-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3960353
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
N-[(3-chlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 3393712
N-[(2-methoxyphenyl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 1185578

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate (CID 92847965) is [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate is COc1cccc(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1OC(C)=O.
What is the InChIKey of [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is MBEIPKPYRJNLCS-QFEZKATASA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(29)32-23-19(8-5-9-22(23)31-2)14-25-28-24(30)21-13-20(26-27-21)18-11-10-16-6-3-4-7-17(16)12-18/h3-14H,1-2H3,(H,26,27)(H,28,30)/b25-14-.
What are the key properties of [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate?
[2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 428.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-[(Z)-[(3-naphthalen-2-yl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 92847965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).