3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide

C17H14ClFN4O — CID 91871484

IUPAC3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c18-13-5-3-12(4-6-13)15-9-16(17(24)21-20)23(22-15)10-11-1-7-14(19)8-2-11/h1-9H,10,20H2,(H,21,24)
InChIKeyXVGGFLXGOLCVMY-UHFFFAOYSA-N
MW344.78 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide

3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide (PubChem CID 91871484) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
PubChem CID91871484
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4O/c18-13-5-3-12(4-6-13)15-9-16(17(24)21-20)23(22-15)10-11-1-7-14(19)8-2-11/h1-9H,10,20H2,(H,21,24)
InChIKeyXVGGFLXGOLCVMY-UHFFFAOYSA-N
XLogP2.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide (CID 91871484) is 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide is NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide?
The InChIKey is XVGGFLXGOLCVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-13-5-3-12(4-6-13)15-9-16(17(24)21-20)23(22-15)10-11-1-7-14(19)8-2-11/h1-9H,10,20H2,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide?
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide has a molecular weight of 344.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide is sourced from PubChem (CID 91871484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).