N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide

C22H24N4O2 — CID 36708528

IUPACN'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
SMILESCCCCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-2-3-6-15-20(27)23-24-22(28)19-16-26(18-13-9-5-10-14-18)25-21(19)17-11-7-4-8-12-17/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,27)(H,24,28)
InChIKeyGLZBBVZCUQGNKD-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.88
Rot. Bonds7

About N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide

N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 36708528) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID36708528
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
SMILESCCCCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-2-3-6-15-20(27)23-24-22(28)19-16-26(18-13-9-5-10-14-18)25-21(19)17-11-7-4-8-12-17/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,27)(H,24,28)
InChIKeyGLZBBVZCUQGNKD-UHFFFAOYSA-N
XLogP3.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46651465
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
CID 46651525
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735

Frequently Asked Questions

What is the IUPAC name of N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide (CID 36708528) is N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide is CCCCCC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is GLZBBVZCUQGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-3-6-15-20(27)23-24-22(28)19-16-26(18-13-9-5-10-14-18)25-21(19)17-11-7-4-8-12-17/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide?
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 376.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 36708528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).