N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide

C24H19FN4O3 — CID 2100382

IUPACN'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19FN4O3/c25-20-13-7-8-14-21(20)32-16-22(30)26-27-24(31)19-15-29(18-11-5-2-6-12-18)28-23(19)17-9-3-1-4-10-17/h1-15H,16H2,(H,26,30)(H,27,31)
InChIKeyWVJBLMFLPMVOAP-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.52
Rot. Bonds6

About N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 2100382) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID2100382
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19FN4O3/c25-20-13-7-8-14-21(20)32-16-22(30)26-27-24(31)19-15-29(18-11-5-2-6-12-18)28-23(19)17-9-3-1-4-10-17/h1-15H,16H2,(H,26,30)(H,27,31)
InChIKeyWVJBLMFLPMVOAP-UHFFFAOYSA-N
XLogP3.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.52
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

1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46582418
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-(1,3-diphenylpyrazole-4-carbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 24512663
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide
CID 155539698
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 2100382) is N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is WVJBLMFLPMVOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c25-20-13-7-8-14-21(20)32-16-22(30)26-27-24(31)19-15-29(18-11-5-2-6-12-18)28-23(19)17-9-3-1-4-10-17/h1-15H,16H2,(H,26,30)(H,27,31).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 430.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2100382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).