N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide

C19H18BrN3O — CID 35521241

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Br)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H18BrN3O/c1-14-11-18(23(22-14)13-16-5-3-2-4-6-16)21-19(24)12-15-7-9-17(20)10-8-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyYYFJJMCTSWATRN-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.18
Rot. Bonds5

About N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide

N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide (PubChem CID 35521241) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
PubChem CID35521241
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Br)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H18BrN3O/c1-14-11-18(23(22-14)13-16-5-3-2-4-6-16)21-19(24)12-15-7-9-17(20)10-8-15/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyYYFJJMCTSWATRN-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 55551404
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 60571228
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-(2-benzyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35537538
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
methyl 5-acetyl-2-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55551838
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005414
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55551514
N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119936075
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
CID 47022209

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide (CID 35521241) is N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide is Cc1cc(NC(=O)Cc2ccc(Br)cc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide?
The InChIKey is YYFJJMCTSWATRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-14-11-18(23(22-14)13-16-5-3-2-4-6-16)21-19(24)12-15-7-9-17(20)10-8-15/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide has a molecular weight of 384.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 35521241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).