N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide

C17H13FN4O2 — CID 26246673

IUPACN'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H13FN4O2/c18-15-9-5-4-8-14(15)17(24)21-20-16(23)12-10-19-22(11-12)13-6-2-1-3-7-13/h1-11H,(H,20,23)(H,21,24)
InChIKeyMKMIQABNWHRTGZ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.09
Rot. Bonds3

About N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide

N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 26246673) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID26246673
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H13FN4O2/c18-15-9-5-4-8-14(15)17(24)21-20-16(23)12-10-19-22(11-12)13-6-2-1-3-7-13/h1-11H,(H,20,23)(H,21,24)
InChIKeyMKMIQABNWHRTGZ-UHFFFAOYSA-N
XLogP2.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
CID 49156531
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
CID 46422486
1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea
CID 8943196
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
1-phenylpyrazole-4-carbonyl iodide
CID 130257311

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide (CID 26246673) is N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is MKMIQABNWHRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-15-9-5-4-8-14(15)17(24)21-20-16(23)12-10-19-22(11-12)13-6-2-1-3-7-13/h1-11H,(H,20,23)(H,21,24).
What are the key properties of N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide?
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 324.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 26246673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).