2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide

C12H12BrN3O2 — CID 112691197

IUPAC2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-14-16-12(8)15-11(17)7-18-10-4-2-3-9(13)5-10/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyTXGPWNQRCCOSLU-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.50
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide

2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (PubChem CID 112691197) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
PubChem CID112691197
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-14-16-12(8)15-11(17)7-18-10-4-2-3-9(13)5-10/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyTXGPWNQRCCOSLU-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691162
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 17432048
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698938
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630112
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589
2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179
3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 7638236
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (CID 112691197) is 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is Cc1cn[nH]c1NC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is TXGPWNQRCCOSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8-6-14-16-12(8)15-11(17)7-18-10-4-2-3-9(13)5-10/h2-6H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 112691197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).