N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C16H18BrN3O2 — CID 35536833

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NCCn1cc(Br)cn1
InChIInChI=1S/C16H18BrN3O2/c17-14-9-19-20(10-14)7-6-18-16(21)11-22-15-5-4-12-2-1-3-13(12)8-15/h4-5,8-10H,1-3,6-7,11H2,(H,18,21)
InChIKeyJXRWMXXDSREZFB-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 35536833) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID35536833
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NCCn1cc(Br)cn1
InChIInChI=1S/C16H18BrN3O2/c17-14-9-19-20(10-14)7-6-18-16(21)11-22-15-5-4-12-2-1-3-13(12)8-15/h4-5,8-10H,1-3,6-7,11H2,(H,18,21)
InChIKeyJXRWMXXDSREZFB-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
CID 19295830
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-N-propylacetamide
CID 9163185
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181147
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 9390786
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 35536833) is N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is O=C(COc1ccc2c(c1)CCC2)NCCn1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is JXRWMXXDSREZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-14-9-19-20(10-14)7-6-18-16(21)11-22-15-5-4-12-2-1-3-13(12)8-15/h4-5,8-10H,1-3,6-7,11H2,(H,18,21).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 364.24 g/mol, XLogP of 2.33, 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]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 35536833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).