N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide

C26H22ClFN4O3 — CID 26258595

IUPACN'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H22ClFN4O3/c1-17-24(25(27)32(31-17)21-13-11-20(28)12-14-21)26(34)30-29-23(33)16-35-22-10-6-5-9-19(22)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyUEGALYBEZBKNSE-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.40
Rot. Bonds7

About N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide

N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide (PubChem CID 26258595) has the molecular formula C26H22ClFN4O3 and a molecular weight of 492.94 g/mol. Its IUPAC name is N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
PubChem CID26258595
Molecular FormulaC26H22ClFN4O3
Molecular Weight492.94 g/mol
Exact Mass492.14
IUPAC NameN'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H22ClFN4O3/c1-17-24(25(27)32(31-17)21-13-11-20(28)12-14-21)26(34)30-29-23(33)16-35-22-10-6-5-9-19(22)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyUEGALYBEZBKNSE-UHFFFAOYSA-N
XLogP4.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.40
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

5-chloro-1-(4-fluorophenyl)-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 27568317
[2-oxo-2-(2-phenylethylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691048
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78813095
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 43003708
N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 7780034
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N'-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27563575
5-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55893310
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
CID 56520721
N-[4-(4-benzylpiperazin-1-yl)butyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55933785
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide (CID 26258595) is N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide?
The InChIKey is UEGALYBEZBKNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O3/c1-17-24(25(27)32(31-17)21-13-11-20(28)12-14-21)26(34)30-29-23(33)16-35-22-10-6-5-9-19(22)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide?
N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide has a molecular weight of 492.94 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzylphenoxy)acetyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 26258595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).