N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

C17H16BrN3O2S — CID 18190050

IUPACN-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccnn2Cc2cc(Br)cs2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-23-14-4-2-3-12(7-14)8-17(22)20-16-5-6-19-21(16)10-15-9-13(18)11-24-15/h2-7,9,11H,8,10H2,1H3,(H,20,22)
InChIKeyUZLJYYXQICJGBX-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.95
Rot. Bonds6

About N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 18190050) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID18190050
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC NameN-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccnn2Cc2cc(Br)cs2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-23-14-4-2-3-12(7-14)8-17(22)20-16-5-6-19-21(16)10-15-9-13(18)11-24-15/h2-7,9,11H,8,10H2,1H3,(H,20,22)
InChIKeyUZLJYYXQICJGBX-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 62622471
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
N-(2-benzylpyrazol-3-yl)-2-bromo-5-methoxybenzamide
CID 9116244
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494
N-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62909620
N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 16572670
2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63976549
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55685777
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
CID 24831039

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (CID 18190050) is N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccnn2Cc2cc(Br)cs2)c1.
What is the InChIKey of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is UZLJYYXQICJGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-23-14-4-2-3-12(7-14)8-17(22)20-16-5-6-19-21(16)10-15-9-13(18)11-24-15/h2-7,9,11H,8,10H2,1H3,(H,20,22).
What are the key properties of N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 406.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 18190050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).