N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide

C21H23BrN4O3 — CID 24815312

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(OC)c(-c3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C21H23BrN4O3/c1-26-21(18(22)12-24-26)17-10-15(6-9-19(17)29-3)25-20(27)13-23-11-14-4-7-16(28-2)8-5-14/h4-10,12,23H,11,13H2,1-3H3,(H,25,27)
InChIKeyXZGZGOJIUGYBOE-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.60
Rot. Bonds8

About N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide (PubChem CID 24815312) has the molecular formula C21H23BrN4O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
PubChem CID24815312
Molecular FormulaC21H23BrN4O3
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2ccc(OC)c(-c3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C21H23BrN4O3/c1-26-21(18(22)12-24-26)17-10-15(6-9-19(17)29-3)25-20(27)13-23-11-14-4-7-16(28-2)8-5-14/h4-10,12,23H,11,13H2,1-3H3,(H,25,27)
InChIKeyXZGZGOJIUGYBOE-UHFFFAOYSA-N
XLogP3.60
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
CID 24816104
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
CID 11775306
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
1-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 142269407
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chloro-2-hydroxyphenyl)urea
CID 23139514
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea
CID 143265423
N-(2-bromo-4-methylphenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 108998576
2-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethylamino]-N-[3-(4-iodo-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 143584503
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001204
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide (CID 24815312) is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide is COc1ccc(CNCC(=O)Nc2ccc(OC)c(-c3c(Br)cnn3C)c2)cc1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide?
The InChIKey is XZGZGOJIUGYBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O3/c1-26-21(18(22)12-24-26)17-10-15(6-9-19(17)29-3)25-20(27)13-23-11-14-4-7-16(28-2)8-5-14/h4-10,12,23H,11,13H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide?
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide has a molecular weight of 459.34 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 24815312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).