N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide

C18H16BrN3O2 — CID 7589903

IUPACN-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H16BrN3O2/c19-15-6-8-16(9-7-15)24-13-18(23)21-17-10-11-20-22(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)
InChIKeyCCVUVCGQMQNEPD-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.71
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide

N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide (PubChem CID 7589903) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
PubChem CID7589903
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H16BrN3O2/c19-15-6-8-16(9-7-15)24-13-18(23)21-17-10-11-20-22(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)
InChIKeyCCVUVCGQMQNEPD-UHFFFAOYSA-N
XLogP3.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112814343
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33173069
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide (CID 7589903) is N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide?
The InChIKey is CCVUVCGQMQNEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c19-15-6-8-16(9-7-15)24-13-18(23)21-17-10-11-20-22(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide?
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 7589903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).