N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide

C28H23FN6O2 — CID 55381258

IUPACN'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H23FN6O2/c1-18-25(19(2)35(32-18)23-15-13-21(29)14-16-23)28(37)31-30-27(36)24-17-34(22-11-7-4-8-12-22)33-26(24)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,30,36)(H,31,37)
InChIKeyCCKKXIJCDQEGAC-UHFFFAOYSA-N
MW494.53 g/mol
LogP4.56
Rot. Bonds5

About N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide

N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide (PubChem CID 55381258) has the molecular formula C28H23FN6O2 and a molecular weight of 494.53 g/mol. Its IUPAC name is N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
PubChem CID55381258
Molecular FormulaC28H23FN6O2
Molecular Weight494.53 g/mol
Exact Mass494.19
IUPAC NameN'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H23FN6O2/c1-18-25(19(2)35(32-18)23-15-13-21(29)14-16-23)28(37)31-30-27(36)24-17-34(22-11-7-4-8-12-22)33-26(24)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,30,36)(H,31,37)
InChIKeyCCKKXIJCDQEGAC-UHFFFAOYSA-N
XLogP4.56
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 112773059
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 46612528
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide (CID 55381258) is N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The InChIKey is CCKKXIJCDQEGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O2/c1-18-25(19(2)35(32-18)23-15-13-21(29)14-16-23)28(37)31-30-27(36)24-17-34(22-11-7-4-8-12-22)33-26(24)20-9-5-3-6-10-20/h3-17H,1-2H3,(H,30,36)(H,31,37).
What are the key properties of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide has a molecular weight of 494.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 55381258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).