N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C18H24F3N3O — CID 90202178

IUPACN-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC=C/C=C(/NC(=O)c1cn(C)nc1C(F)(F)F)C(=C)[C@H](C)CC(C)C
InChIInChI=1S/C18H24F3N3O/c1-7-8-15(13(5)12(4)9-11(2)3)22-17(25)14-10-24(6)23-16(14)18(19,20)21/h7-8,10-12H,1,5,9H2,2-4,6H3,(H,22,25)/b15-8+/t12-/m1/s1
InChIKeyPBNJXOTZFKWGCM-AZZDOICSSA-N
MW355.40 g/mol
LogP4.48
Rot. Bonds7

About N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90202178) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90202178
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC=C/C=C(/NC(=O)c1cn(C)nc1C(F)(F)F)C(=C)[C@H](C)CC(C)C
InChIInChI=1S/C18H24F3N3O/c1-7-8-15(13(5)12(4)9-11(2)3)22-17(25)14-10-24(6)23-16(14)18(19,20)21/h7-8,10-12H,1,5,9H2,2-4,6H3,(H,22,25)/b15-8+/t12-/m1/s1
InChIKeyPBNJXOTZFKWGCM-AZZDOICSSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 90202178) is N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is C=C/C=C(/NC(=O)c1cn(C)nc1C(F)(F)F)C(=C)[C@H](C)CC(C)C.
What is the InChIKey of N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PBNJXOTZFKWGCM-AZZDOICSSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-7-8-15(13(5)12(4)9-11(2)3)22-17(25)14-10-24(6)23-16(14)18(19,20)21/h7-8,10-12H,1,5,9H2,2-4,6H3,(H,22,25)/b15-8+/t12-/m1/s1.
What are the key properties of N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,6R)-6,8-dimethyl-5-methylidenenona-1,3-dien-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90202178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).