N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide

C15H19FN4O — CID 137379878

IUPACN-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide
SMILESC=Cc1nn(/C(C)=C/C(F)=C\N=C)cc1NC(=O)C(C)C
InChIInChI=1S/C15H19FN4O/c1-6-13-14(18-15(21)10(2)3)9-20(19-13)11(4)7-12(16)8-17-5/h6-10H,1,5H2,2-4H3,(H,18,21)/b11-7+,12-8+
InChIKeyVTCKNNHNASEJKG-MKICQXMISA-N
MW290.34 g/mol
LogP3.49
Rot. Bonds6

About N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide

N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide (PubChem CID 137379878) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide
PubChem CID137379878
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide
SMILESC=Cc1nn(/C(C)=C/C(F)=C\N=C)cc1NC(=O)C(C)C
InChIInChI=1S/C15H19FN4O/c1-6-13-14(18-15(21)10(2)3)9-20(19-13)11(4)7-12(16)8-17-5/h6-10H,1,5H2,2-4H3,(H,18,21)/b11-7+,12-8+
InChIKeyVTCKNNHNASEJKG-MKICQXMISA-N
XLogP3.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346285
N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 132292136
2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 90105005
N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N,2-dimethylpropanamide
CID 126685062
N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-N-methylcyclopropanecarboxamide
CID 126685085
N-ethyl-N-[1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]-3-methylpyrazol-4-yl]-2-methylpropanamide
CID 126685114
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,2-dimethylpropanamide
CID 137379885
N-[1-(1-methyl-2H-pyridin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]-3-methylsulfanylpropanamide
CID 144376349
(4R)-4-[[5-ethenyl-4-[fluoro(methyl)amino]pyrazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155403081
(3R)-3-[[5-ethenyl-4-[fluoro(methyl)amino]pyrazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155403233
N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4771028

Frequently Asked Questions

What is the IUPAC name of N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide (CID 137379878) is N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide is C=Cc1nn(/C(C)=C/C(F)=C\N=C)cc1NC(=O)C(C)C.
What is the InChIKey of N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is VTCKNNHNASEJKG-MKICQXMISA-N. The full InChI is InChI=1S/C15H19FN4O/c1-6-13-14(18-15(21)10(2)3)9-20(19-13)11(4)7-12(16)8-17-5/h6-10H,1,5H2,2-4H3,(H,18,21)/b11-7+,12-8+.
What are the key properties of N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide?
N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 290.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethenyl-1-[(2E,4E)-4-fluoro-5-(methylideneamino)penta-2,4-dien-2-yl]pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 137379878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).