N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide

C20H16N4OS — CID 2546117

IUPACN',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C20H16N4OS/c25-20(22-21-15-8-3-1-4-9-15)18-14-17(19-12-7-13-26-19)23-24(18)16-10-5-2-6-11-16/h1-14,21H,(H,22,25)
InChIKeyXPJSFVDDJFJEQW-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.36
Rot. Bonds5

About N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide

N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide (PubChem CID 2546117) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
PubChem CID2546117
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C20H16N4OS/c25-20(22-21-15-8-3-1-4-9-15)18-14-17(19-12-7-13-26-19)23-24(18)16-10-5-2-6-11-16/h1-14,21H,(H,22,25)
InChIKeyXPJSFVDDJFJEQW-UHFFFAOYSA-N
XLogP4.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.36
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

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3892594
N-[3-(diethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4281981
N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 6862122
N'-[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene]-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6869533
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 16250091
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 16275207
N-[(Z)-benzylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 164619193
1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide
CID 164625812
N'-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}thiophene-2-carbohydrazide
CID 2809443
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24982273
N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2115330

Frequently Asked Questions

What is the IUPAC name of N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The IUPAC name of N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide (CID 2546117) is N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide.
What is the SMILES notation for N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The canonical SMILES for N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide is O=C(NNc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The InChIKey is XPJSFVDDJFJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-20(22-21-15-8-3-1-4-9-15)18-14-17(19-12-7-13-26-19)23-24(18)16-10-5-2-6-11-16/h1-14,21H,(H,22,25).
What are the key properties of N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide has a molecular weight of 360.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-diphenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide is sourced from PubChem (CID 2546117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).