N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide

C15H18BrN3O — CID 60697714

IUPACN-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCc1cc(C)n(CC(=O)N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-11-8-12(2)19(17-11)10-15(20)18(3)9-13-6-4-5-7-14(13)16/h4-8H,9-10H2,1-3H3
InChIKeyOLPYBZMPQMIYSI-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.92
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide (PubChem CID 60697714) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
PubChem CID60697714
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
SMILESCc1cc(C)n(CC(=O)N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-11-8-12(2)19(17-11)10-15(20)18(3)9-13-6-4-5-7-14(13)16/h4-8H,9-10H2,1-3H3
InChIKeyOLPYBZMPQMIYSI-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 60966990
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 35682568
N-[(2-bromophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30750044
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963656
3-[benzyl-[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 75428850
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 34866908

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide (CID 60697714) is N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide is Cc1cc(C)n(CC(=O)N(C)Cc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is OLPYBZMPQMIYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11-8-12(2)19(17-11)10-15(20)18(3)9-13-6-4-5-7-14(13)16/h4-8H,9-10H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 336.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 60697714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).