1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide

C24H21FN4O4 — CID 46612528

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C24H21FN4O4/c1-15-22(16(2)29(28-15)18-10-8-17(25)9-11-18)24(31)27-26-23(30)21-13-12-20(33-21)14-32-19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyGAYYKIUCKQHDND-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide

1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide (PubChem CID 46612528) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
PubChem CID46612528
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C24H21FN4O4/c1-15-22(16(2)29(28-15)18-10-8-17(25)9-11-18)24(31)27-26-23(30)21-13-12-20(33-21)14-32-19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyGAYYKIUCKQHDND-UHFFFAOYSA-N
XLogP3.88
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.88
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'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219782
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19282463
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 35807805
2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
CID 26808263
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
methyl 2-[[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406610

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide (CID 46612528) is 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
The InChIKey is GAYYKIUCKQHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-15-22(16(2)29(28-15)18-10-8-17(25)9-11-18)24(31)27-26-23(30)21-13-12-20(33-21)14-32-19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide?
1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide has a molecular weight of 448.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 46612528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).