N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H10BrF3N4O — CID 19620793

IUPACN-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N4O/c9-5-3-16(4-6(17)14-2-1-13)15-7(5)8(10,11)12/h3H,1-2,4,13H2,(H,14,17)
InChIKeyQTZJVDFNKWTLTI-UHFFFAOYSA-N
MW315.09 g/mol
LogP0.74
Rot. Bonds4

About N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19620793) has the molecular formula C8H10BrF3N4O and a molecular weight of 315.09 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19620793
Molecular FormulaC8H10BrF3N4O
Molecular Weight315.09 g/mol
Exact Mass314.00
IUPAC NameN-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C8H10BrF3N4O/c9-5-3-16(4-6(17)14-2-1-13)15-7(5)8(10,11)12/h3H,1-2,4,13H2,(H,14,17)
InChIKeyQTZJVDFNKWTLTI-UHFFFAOYSA-N
XLogP0.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19620793) is N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide is NCCNC(=O)Cn1cc(Br)c(C(F)(F)F)n1.
What is the InChIKey of N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QTZJVDFNKWTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N4O/c9-5-3-16(4-6(17)14-2-1-13)15-7(5)8(10,11)12/h3H,1-2,4,13H2,(H,14,17).
What are the key properties of N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.09 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19620793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).