N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide

C21H15FN4O2S — CID 7946021

IUPACN'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O2S/c22-15-10-8-14(9-11-15)20(27)23-24-21(28)18-13-17(19-7-4-12-29-19)25-26(18)16-5-2-1-3-6-16/h1-13H,(H,23,27)(H,24,28)
InChIKeyGVDQCYOJJVXODG-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.81
Rot. Bonds4

About N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide

N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide (PubChem CID 7946021) has the molecular formula C21H15FN4O2S and a molecular weight of 406.44 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
PubChem CID7946021
Molecular FormulaC21H15FN4O2S
Molecular Weight406.44 g/mol
Exact Mass406.09
IUPAC NameN'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O2S/c22-15-10-8-14(9-11-15)20(27)23-24-21(28)18-13-17(19-7-4-12-29-19)25-26(18)16-5-2-1-3-6-16/h1-13H,(H,23,27)(H,24,28)
InChIKeyGVDQCYOJJVXODG-UHFFFAOYSA-N
XLogP3.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.81
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'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 8839263
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761837
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide (CID 7946021) is N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide is O=C(NNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The InChIKey is GVDQCYOJJVXODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2S/c22-15-10-8-14(9-11-15)20(27)23-24-21(28)18-13-17(19-7-4-12-29-19)25-26(18)16-5-2-1-3-6-16/h1-13H,(H,23,27)(H,24,28).
What are the key properties of N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide has a molecular weight of 406.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide is sourced from PubChem (CID 7946021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).