5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide

C25H20ClFN4O3 — CID 27568317

IUPAC5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H20ClFN4O3/c1-16-23(24(26)31(30-16)19-13-11-18(27)12-14-19)25(33)29-28-22(32)15-34-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,28,32)(H,29,33)
InChIKeyBGFNHMKNZQRELD-UHFFFAOYSA-N
MW478.91 g/mol
LogP4.48
Rot. Bonds6

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide

5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide (PubChem CID 27568317) has the molecular formula C25H20ClFN4O3 and a molecular weight of 478.91 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
PubChem CID27568317
Molecular FormulaC25H20ClFN4O3
Molecular Weight478.91 g/mol
Exact Mass478.12
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H20ClFN4O3/c1-16-23(24(26)31(30-16)19-13-11-18(27)12-14-19)25(33)29-28-22(32)15-34-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,28,32)(H,29,33)
InChIKeyBGFNHMKNZQRELD-UHFFFAOYSA-N
XLogP4.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 54.48
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'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
CID 26258595
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78813095
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1H-pyrazole-3-carbohydrazide
CID 60520861
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 43003708
[2-oxo-2-(2-phenylethylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691048

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide (CID 27568317) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide?
The InChIKey is BGFNHMKNZQRELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O3/c1-16-23(24(26)31(30-16)19-13-11-18(27)12-14-19)25(33)29-28-22(32)15-34-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide?
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide has a molecular weight of 478.91 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 27568317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).