N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide

C12H15FN6O — CID 119055815

IUPACN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N/N=C/c2c(C)nn(C)c2F)c1
InChIInChI=1S/C12H15FN6O/c1-8-4-15-19(6-8)7-11(20)16-14-5-10-9(2)17-18(3)12(10)13/h4-6H,7H2,1-3H3,(H,16,20)/b14-5+
InChIKeyGQFMLTJNMATXMZ-LHHJGKSTSA-N
MW278.29 g/mol
LogP0.52
Rot. Bonds4

About N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide

N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 119055815) has the molecular formula C12H15FN6O and a molecular weight of 278.29 g/mol. Its IUPAC name is N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID119055815
Molecular FormulaC12H15FN6O
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC NameN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N/N=C/c2c(C)nn(C)c2F)c1
InChIInChI=1S/C12H15FN6O/c1-8-4-15-19(6-8)7-11(20)16-14-5-10-9(2)17-18(3)12(10)13/h4-6H,7H2,1-3H3,(H,16,20)/b14-5+
InChIKeyGQFMLTJNMATXMZ-LHHJGKSTSA-N
XLogP0.52
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide (CID 119055815) is N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)N/N=C/c2c(C)nn(C)c2F)c1.
What is the InChIKey of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is GQFMLTJNMATXMZ-LHHJGKSTSA-N. The full InChI is InChI=1S/C12H15FN6O/c1-8-4-15-19(6-8)7-11(20)16-14-5-10-9(2)17-18(3)12(10)13/h4-6H,7H2,1-3H3,(H,16,20)/b14-5+.
What are the key properties of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 278.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 119055815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).