N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide

C24H19FN4O — CID 2425845

IUPACN'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESC=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C24H19FN4O/c1-17(20-14-8-9-15-22(20)25)26-27-24(30)21-16-29(19-12-6-3-7-13-19)28-23(21)18-10-4-2-5-11-18/h2-16,26H,1H2,(H,27,30)
InChIKeyXELFGNIEBXZXDB-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.58
Rot. Bonds6

About N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 2425845) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID2425845
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESC=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C24H19FN4O/c1-17(20-14-8-9-15-22(20)25)26-27-24(30)21-16-29(19-12-6-3-7-13-19)28-23(21)18-10-4-2-5-11-18/h2-16,26H,1H2,(H,27,30)
InChIKeyXELFGNIEBXZXDB-UHFFFAOYSA-N
XLogP4.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.58
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

N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
N'-(1,3-diphenylpyrazole-4-carbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 24512663
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methoxy]-1-phenylpyrazole-4-carboxamide
CID 155539698
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 2425845) is N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide is C=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is XELFGNIEBXZXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-17(20-14-8-9-15-22(20)25)26-27-24(30)21-16-29(19-12-6-3-7-13-19)28-23(21)18-10-4-2-5-11-18/h2-16,26H,1H2,(H,27,30).
What are the key properties of N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 398.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2425845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).