N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H12F4N6O — CID 177147967

IUPACN-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc(/N=C/N)c(F)c1
InChIInChI=1S/C13H12F4N6O/c1-7-2-10(13(15,16)17)22-23(7)5-11(24)21-8-3-9(14)12(19-4-8)20-6-18/h2-4,6H,5H2,1H3,(H,21,24)(H2,18,19,20)
InChIKeySZEIWZFLNBCVOH-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.00
Rot. Bonds4

About N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 177147967) has the molecular formula C13H12F4N6O and a molecular weight of 344.27 g/mol. Its IUPAC name is N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID177147967
Molecular FormulaC13H12F4N6O
Molecular Weight344.27 g/mol
Exact Mass344.10
IUPAC NameN-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc(/N=C/N)c(F)c1
InChIInChI=1S/C13H12F4N6O/c1-7-2-10(13(15,16)17)22-23(7)5-11(24)21-8-3-9(14)12(19-4-8)20-6-18/h2-4,6H,5H2,1H3,(H,21,24)(H2,18,19,20)
InChIKeySZEIWZFLNBCVOH-UHFFFAOYSA-N
XLogP2.00
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-[(1S,3S,4R)-2-azabicyclo[2.2.1]heptan-3-yl]imidazol-1-yl]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 177148181
N-(2-methyl-1,2,4-triazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126821780
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519217
N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126841518
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519176
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 119055902
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519070
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519068

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 177147967) is N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc(/N=C/N)c(F)c1.
What is the InChIKey of N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SZEIWZFLNBCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N6O/c1-7-2-10(13(15,16)17)22-23(7)5-11(24)21-8-3-9(14)12(19-4-8)20-6-18/h2-4,6H,5H2,1H3,(H,21,24)(H2,18,19,20).
What are the key properties of N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 344.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-aminomethylideneamino]-5-fluoro-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 177147967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).