N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide

C13H12F2N4O — CID 5371131

IUPACN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide
SMILESCc1c(/C=N\NC(=O)c2cc(F)ccc2F)cnn1C
InChIInChI=1S/C13H12F2N4O/c1-8-9(7-17-19(8)2)6-16-18-13(20)11-5-10(14)3-4-12(11)15/h3-7H,1-2H3,(H,18,20)/b16-6-
InChIKeyBJBKLZDLUCSSGI-SOFYXZRVSA-N
MW278.26 g/mol
LogP1.77
Rot. Bonds3

About N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide

N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide (PubChem CID 5371131) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide
PubChem CID5371131
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC NameN-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide
SMILESCc1c(/C=N\NC(=O)c2cc(F)ccc2F)cnn1C
InChIInChI=1S/C13H12F2N4O/c1-8-9(7-17-19(8)2)6-16-18-13(20)11-5-10(14)3-4-12(11)15/h3-7H,1-2H3,(H,18,20)/b16-6-
InChIKeyBJBKLZDLUCSSGI-SOFYXZRVSA-N
XLogP1.77
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide
CID 6874457
N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 5433954
3-chloro-N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-6-nitro-1-benzothiophene-2-carboxamide
CID 17217235
5-(2,4-difluorophenyl)-N-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]-1,2-oxazole-3-carboxamide
CID 178030702
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
CID 4980851
N-[(1,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
CID 784975
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
2-bromo-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]benzamide
CID 171131075
4-bromo-N-[(3-fluorophenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 1225347
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide?
The IUPAC name of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide (CID 5371131) is N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide?
The canonical SMILES for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide is Cc1c(/C=N\NC(=O)c2cc(F)ccc2F)cnn1C.
What is the InChIKey of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide?
The InChIKey is BJBKLZDLUCSSGI-SOFYXZRVSA-N. The full InChI is InChI=1S/C13H12F2N4O/c1-8-9(7-17-19(8)2)6-16-18-13(20)11-5-10(14)3-4-12(11)15/h3-7H,1-2H3,(H,18,20)/b16-6-.
What are the key properties of N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide?
N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide has a molecular weight of 278.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2,5-difluorobenzamide is sourced from PubChem (CID 5371131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).