N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide

C18H18N4O3 — CID 36855293

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C18H18N4O3/c1-11-6-12(2)8-14(7-11)25-10-16(23)20-22-18(24)15-5-3-4-13-9-19-21-17(13)15/h3-9H,10H2,1-2H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyFRPLKJLWWCSZDO-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.02
Rot. Bonds4

About N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide (PubChem CID 36855293) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
PubChem CID36855293
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C18H18N4O3/c1-11-6-12(2)8-14(7-11)25-10-16(23)20-22-18(24)15-5-3-4-13-9-19-21-17(13)15/h3-9H,10H2,1-2H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyFRPLKJLWWCSZDO-UHFFFAOYSA-N
XLogP2.02
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
CID 1372554
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 30706652
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide (CID 36855293) is N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc3cn[nH]c23)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide?
The InChIKey is FRPLKJLWWCSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-6-12(2)8-14(7-11)25-10-16(23)20-22-18(24)15-5-3-4-13-9-19-21-17(13)15/h3-9H,10H2,1-2H3,(H,19,21)(H,20,23)(H,22,24).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide has a molecular weight of 338.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide is sourced from PubChem (CID 36855293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).