N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide

C15H21FN4O — CID 126685062

IUPACN-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide
SMILESC=N/C=C(F)\C=C(/C)n1cc(N(C)C(=O)C(C)C)c(C)n1
InChIInChI=1S/C15H21FN4O/c1-10(2)15(21)19(6)14-9-20(18-12(14)4)11(3)7-13(16)8-17-5/h7-10H,5H2,1-4,6H3/b11-7+,13-8+
InChIKeyFIUYCNKRUFKXDX-ZHSLHGDYSA-N
MW292.36 g/mol
LogP3.18
Rot. Bonds5

About N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide

N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide (PubChem CID 126685062) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide
PubChem CID126685062
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide
SMILESC=N/C=C(F)\C=C(/C)n1cc(N(C)C(=O)C(C)C)c(C)n1
InChIInChI=1S/C15H21FN4O/c1-10(2)15(21)19(6)14-9-20(18-12(14)4)11(3)7-13(16)8-17-5/h7-10H,5H2,1-4,6H3/b11-7+,13-8+
InChIKeyFIUYCNKRUFKXDX-ZHSLHGDYSA-N
XLogP3.18
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide (CID 126685062) is N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide is C=N/C=C(F)\C=C(/C)n1cc(N(C)C(=O)C(C)C)c(C)n1.
What is the InChIKey of N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide?
The InChIKey is FIUYCNKRUFKXDX-ZHSLHGDYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-10(2)15(21)19(6)14-9-20(18-12(14)4)11(3)7-13(16)8-17-5/h7-10H,5H2,1-4,6H3/b11-7+,13-8+.
What are the key properties of N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide?
N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide has a molecular weight of 292.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 126685062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).