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

C19H16N6O4S — CID 24567891

IUPACN'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCn1nc(-c2cccs2)oc1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H16N6O4S/c26-16(8-9-25-19(28)29-18(24-25)15-7-4-10-30-15)22-23-17(27)14-11-13(20-21-14)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,20,21)(H,22,26)(H,23,27)
InChIKeyGEYSRMGWYAPTFE-UHFFFAOYSA-N
MW424.44 g/mol
LogP1.81
Rot. Bonds6

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

N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 24567891) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID24567891
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC NameN'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(CCn1nc(-c2cccs2)oc1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H16N6O4S/c26-16(8-9-25-19(28)29-18(24-25)15-7-4-10-30-15)22-23-17(27)14-11-13(20-21-14)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,20,21)(H,22,26)(H,23,27)
InChIKeyGEYSRMGWYAPTFE-UHFFFAOYSA-N
XLogP1.81
TPSA134.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]benzohydrazide
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CID 24567798
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
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CID 17397101
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
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CID 9075646
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
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N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 18096150
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 24567891) is N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(CCn1nc(-c2cccs2)oc1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is GEYSRMGWYAPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c26-16(8-9-25-19(28)29-18(24-25)15-7-4-10-30-15)22-23-17(27)14-11-13(20-21-14)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,20,21)(H,22,26)(H,23,27).
What are the key properties of N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 424.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24567891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).