N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide

C14H13BrF3N3O2 — CID 19282878

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCCn1cc(Br)cn1)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C14H13BrF3N3O2/c15-11-7-20-21(8-11)5-4-19-13(22)10-2-1-3-12(6-10)23-9-14(16,17)18/h1-3,6-8H,4-5,9H2,(H,19,22)
InChIKeyFHJLAUZVFDUSQS-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 19282878) has the molecular formula C14H13BrF3N3O2 and a molecular weight of 392.18 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID19282878
Molecular FormulaC14H13BrF3N3O2
Molecular Weight392.18 g/mol
Exact Mass391.01
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCCn1cc(Br)cn1)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C14H13BrF3N3O2/c15-11-7-20-21(8-11)5-4-19-13(22)10-2-1-3-12(6-10)23-9-14(16,17)18/h1-3,6-8H,4-5,9H2,(H,19,22)
InChIKeyFHJLAUZVFDUSQS-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19282948
N-[2-(4-bromopyrazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19282910
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19323105
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19333252
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide
CID 19282819
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19282912
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19329009
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850
3-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]benzamide
CID 19283361
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19469039

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide (CID 19282878) is N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide is O=C(NCCn1cc(Br)cn1)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is FHJLAUZVFDUSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3O2/c15-11-7-20-21(8-11)5-4-19-13(22)10-2-1-3-12(6-10)23-9-14(16,17)18/h1-3,6-8H,4-5,9H2,(H,19,22).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 392.18 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 19282878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).