N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide

C18H17FN4O3 — CID 33481092

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)c(C)o1
InChIInChI=1S/C18H17FN4O3/c1-10-8-13(12(3)26-10)17(24)21-22-18(25)14-9-20-23(11(14)2)16-7-5-4-6-15(16)19/h4-9H,1-3H3,(H,21,24)(H,22,25)
InChIKeyKYYWQUNWGNACKO-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.60
Rot. Bonds3

About N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide (PubChem CID 33481092) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
PubChem CID33481092
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)c(C)o1
InChIInChI=1S/C18H17FN4O3/c1-10-8-13(12(3)26-10)17(24)21-22-18(25)14-9-20-23(11(14)2)16-7-5-4-6-15(16)19/h4-9H,1-3H3,(H,21,24)(H,22,25)
InChIKeyKYYWQUNWGNACKO-UHFFFAOYSA-N
XLogP2.60
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.60
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

N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 35819656
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 33488877
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide (CID 33481092) is N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The InChIKey is KYYWQUNWGNACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-10-8-13(12(3)26-10)17(24)21-22-18(25)14-9-20-23(11(14)2)16-7-5-4-6-15(16)19/h4-9H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide has a molecular weight of 356.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 33481092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).