1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide

C20H20N4O3 — CID 60527876

IUPAC1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)nn1C
InChIInChI=1S/C20H20N4O3/c1-14-12-17(23-24(14)2)20(26)22-21-19(25)13-27-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySYAGJOVYTQAJGX-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.24
Rot. Bonds5

About 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide

1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide (PubChem CID 60527876) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
PubChem CID60527876
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)nn1C
InChIInChI=1S/C20H20N4O3/c1-14-12-17(23-24(14)2)20(26)22-21-19(25)13-27-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySYAGJOVYTQAJGX-UHFFFAOYSA-N
XLogP2.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822975
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 55350702
3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
CID 55644587
5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
CID 60520886
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide?
The IUPAC name of 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide (CID 60527876) is 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)nn1C.
What is the InChIKey of 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide?
The InChIKey is SYAGJOVYTQAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-12-17(23-24(14)2)20(26)22-21-19(25)13-27-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide?
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide has a molecular weight of 364.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 60527876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).