N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H18BrN3O — CID 24665858

IUPACN-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H18BrN3O/c1-9-7-12(16)5-6-14(9)17-15(20)8-13-10(2)18-19(4)11(13)3/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeySCIMOSNDDXYOTJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.29
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 24665858) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID24665858
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H18BrN3O/c1-9-7-12(16)5-6-14(9)17-15(20)8-13-10(2)18-19(4)11(13)3/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeySCIMOSNDDXYOTJ-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenoxy]acetic acid
CID 119231451
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695334
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46513607
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43171756
N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75506187
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695411
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
N-(4-bromo-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9428744
1-(4-bromo-2-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
CID 105129160
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 24665858) is N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(Br)ccc1NC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is SCIMOSNDDXYOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-7-12(16)5-6-14(9)17-15(20)8-13-10(2)18-19(4)11(13)3/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24665858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).