1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide

C25H20N6O3S — CID 38003509

IUPAC1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H20N6O3S/c32-21(11-12-22-27-29-25(34-22)18-13-14-35-16-18)26-28-24(33)20-15-31(19-9-5-2-6-10-19)30-23(20)17-7-3-1-4-8-17/h1-10,13-16H,11-12H2,(H,26,32)(H,28,33)
InChIKeyLMFTYWHCQDAKTI-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.04
Rot. Bonds7

About 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide

1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide (PubChem CID 38003509) has the molecular formula C25H20N6O3S and a molecular weight of 484.54 g/mol. Its IUPAC name is 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
PubChem CID38003509
Molecular FormulaC25H20N6O3S
Molecular Weight484.54 g/mol
Exact Mass484.13
IUPAC Name1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H20N6O3S/c32-21(11-12-22-27-29-25(34-22)18-13-14-35-16-18)26-28-24(33)20-15-31(19-9-5-2-6-10-19)30-23(20)17-7-3-1-4-8-17/h1-10,13-16H,11-12H2,(H,26,32)(H,28,33)
InChIKeyLMFTYWHCQDAKTI-UHFFFAOYSA-N
XLogP4.04
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 34299210
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46651465
1,3-diphenyl-N'-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyrazole-4-carbohydrazide
CID 46651525
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38139231
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide (CID 38003509) is 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide is O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide?
The InChIKey is LMFTYWHCQDAKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3S/c32-21(11-12-22-27-29-25(34-22)18-13-14-35-16-18)26-28-24(33)20-15-31(19-9-5-2-6-10-19)30-23(20)17-7-3-1-4-8-17/h1-10,13-16H,11-12H2,(H,26,32)(H,28,33).
What are the key properties of 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide?
1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide has a molecular weight of 484.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N'-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 38003509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).