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

C15H19FN4O — CID 126685085

IUPACN-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide
SMILESC=N/C=C(F)\C=C(/C)n1cc(N(C)C(=O)C2CC2)c(C)n1
InChIInChI=1S/C15H19FN4O/c1-10(7-13(16)8-17-3)20-9-14(11(2)18-20)19(4)15(21)12-5-6-12/h7-9,12H,3,5-6H2,1-2,4H3/b10-7+,13-8+
InChIKeyZEGBFFBDTYXSAF-OOHIBURESA-N
MW290.34 g/mol
LogP2.94
Rot. Bonds5

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

N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide (PubChem CID 126685085) has the molecular formula C15H19FN4O and a molecular weight of 290.34 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-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide
PubChem CID126685085
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide
SMILESC=N/C=C(F)\C=C(/C)n1cc(N(C)C(=O)C2CC2)c(C)n1
InChIInChI=1S/C15H19FN4O/c1-10(7-13(16)8-17-3)20-9-14(11(2)18-20)19(4)15(21)12-5-6-12/h7-9,12H,3,5-6H2,1-2,4H3/b10-7+,13-8+
InChIKeyZEGBFFBDTYXSAF-OOHIBURESA-N
XLogP2.94
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.94
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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Related Compounds

N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide
CID 126685062
N-ethyl-N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-2-methyl-3-methylsulfanylpropanamide
CID 126685063
N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide
CID 126685080
N-ethyl-N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-3-methylsulfanylpropanamide
CID 126685095
N-ethyl-N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-2-methylpropanamide
CID 126685114
3-[(2,2-difluorocyclopropyl)methylsulfanyl]-N-ethyl-N-[3-methyl-1-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]propanamide
CID 126685120
N-ethyl-4,4,4-trifluoro-N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]butanamide
CID 130235888
N-[3-ethyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-N-methyl-2-methylsulfanylcyclopropane-1-carboxamide
CID 137379869
N-ethyl-N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-5-oxohexanamide
CID 137379875
N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide
CID 137379878
N-[3-ethyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-N,2-dimethylpropanamide
CID 137379885
N-methyl-N-[1-(1-methyl-2H-pyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]-3-methylsulfanylpropanamide
CID 145569129

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-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide (CID 126685085) is N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide.
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-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide is C=N/C=C(F)\C=C(/C)n1cc(N(C)C(=O)C2CC2)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-methylcyclopropanecarboxamide?
The InChIKey is ZEGBFFBDTYXSAF-OOHIBURESA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10(7-13(16)8-17-3)20-9-14(11(2)18-20)19(4)15(21)12-5-6-12/h7-9,12H,3,5-6H2,1-2,4H3/b10-7+,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-methylcyclopropanecarboxamide?
N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.94, 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-methylcyclopropanecarboxamide is sourced from PubChem (CID 126685085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).