N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C18H20BrF4N3O2 — CID 19451873

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2cccc(COCC(F)(F)C(F)F)c2)n1
InChIInChI=1S/C18H20BrF4N3O2/c1-3-26-8-14(19)15(24-26)9-25(2)16(27)13-6-4-5-12(7-13)10-28-11-18(22,23)17(20)21/h4-8,17H,3,9-11H2,1-2H3
InChIKeyFPJHVERFNWRUFD-UHFFFAOYSA-N
MW466.27 g/mol
LogP4.35
Rot. Bonds9

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 19451873) has the molecular formula C18H20BrF4N3O2 and a molecular weight of 466.27 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID19451873
Molecular FormulaC18H20BrF4N3O2
Molecular Weight466.27 g/mol
Exact Mass465.07
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCCn1cc(Br)c(CN(C)C(=O)c2cccc(COCC(F)(F)C(F)F)c2)n1
InChIInChI=1S/C18H20BrF4N3O2/c1-3-26-8-14(19)15(24-26)9-25(2)16(27)13-6-4-5-12(7-13)10-28-11-18(22,23)17(20)21/h4-8,17H,3,9-11H2,1-2H3
InChIKeyFPJHVERFNWRUFD-UHFFFAOYSA-N
XLogP4.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19450079
3-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19451986
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-[(4-nitrophenoxy)methyl]benzamide
CID 19451944
1-ethyl-N-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410736
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19451982
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19284224
1-benzyl-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N,2,3-trimethylindole-5-carboxamide
CID 19451818
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19451851
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19278009
N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19405030
3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282185
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 19451873) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is CCn1cc(Br)c(CN(C)C(=O)c2cccc(COCC(F)(F)C(F)F)c2)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is FPJHVERFNWRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF4N3O2/c1-3-26-8-14(19)15(24-26)9-25(2)16(27)13-6-4-5-12(7-13)10-28-11-18(22,23)17(20)21/h4-8,17H,3,9-11H2,1-2H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 466.27 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 19451873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).