N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

C10H9F8N3O2 — CID 118607933

IUPACN-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCON(C)C(=O)c1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C10H9F8N3O2/c1-20-5(7(22)21(2)23-3)4(9(13,14)15)6(19-20)8(11,12)10(16,17)18/h1-3H3
InChIKeyWJQGYXMMKOZVJX-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.73
Rot. Bonds3

About N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 118607933) has the molecular formula C10H9F8N3O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID118607933
Molecular FormulaC10H9F8N3O2
Molecular Weight355.19 g/mol
Exact Mass355.06
IUPAC NameN-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCON(C)C(=O)c1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C10H9F8N3O2/c1-20-5(7(22)21(2)23-3)4(9(13,14)15)6(19-20)8(11,12)10(16,17)18/h1-3H3
InChIKeyWJQGYXMMKOZVJX-UHFFFAOYSA-N
XLogP2.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 118607933) is N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is CON(C)C(=O)c1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WJQGYXMMKOZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F8N3O2/c1-20-5(7(22)21(2)23-3)4(9(13,14)15)6(19-20)8(11,12)10(16,17)18/h1-3H3.
What are the key properties of N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 355.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118607933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).