N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide

C22H18N4O3 — CID 9076190

IUPACN'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C22H18N4O3/c27-20(24-26-22(28)21-17-11-4-6-12-18(17)23-25-21)14-29-19-13-7-5-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)(H,24,27)(H,26,28)
InChIKeyPFSUIVCXHLIRTB-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.07
Rot. Bonds5

About N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide

N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide (PubChem CID 9076190) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide
PubChem CID9076190
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C22H18N4O3/c27-20(24-26-22(28)21-17-11-4-6-12-18(17)23-25-21)14-29-19-13-7-5-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)(H,24,27)(H,26,28)
InChIKeyPFSUIVCXHLIRTB-UHFFFAOYSA-N
XLogP3.07
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.07
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

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
N'-(5-phenylfuran-2-carbonyl)-1H-indazole-3-carbohydrazide
CID 170858563
4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
CID 27568393
N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 26796355
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide (CID 9076190) is N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide?
The InChIKey is PFSUIVCXHLIRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20(24-26-22(28)21-17-11-4-6-12-18(17)23-25-21)14-29-19-13-7-5-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide?
N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 9076190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).