2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide

C10H16BrN3O — CID 118690456

IUPAC2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1cc(Br)nn1C
InChIInChI=1S/C10H16BrN3O/c1-10(2,9(15)13(3)4)7-6-8(11)12-14(7)5/h6H,1-5H3
InChIKeyQEZPIRKRIPTKJI-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.55
Rot. Bonds2

About 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide

2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide (PubChem CID 118690456) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide
PubChem CID118690456
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)c1cc(Br)nn1C
InChIInChI=1S/C10H16BrN3O/c1-10(2,9(15)13(3)4)7-6-8(11)12-14(7)5/h6H,1-5H3
InChIKeyQEZPIRKRIPTKJI-UHFFFAOYSA-N
XLogP1.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine
CID 170730315
3-bromo-1-methyl-5-(trifluoromethyl)pyrazole
CID 105486135
3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
CID 130752501
3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
CID 131153893
propan-2-yl 3-bromo-1-methylpyrazole-5-carboxylate
CID 130639093
methyl 2-(3-bromo-1-methylpyrazol-5-yl)propanoate
CID 165490410
N-(3-bromo-1-methylpyrazol-5-yl)-3-oxopropanamide
CID 166663471
2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-N,N,2-trimethylpropanamide
CID 10978418
2-(5-tert-butyl-1-methylpyrazol-3-yl)acetic acid
CID 83831200
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone
CID 115093160
2-methyl-2-(2-methylpyrazol-3-yl)propanoic acid
CID 63963504
3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid
CID 83864166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide (CID 118690456) is 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)c1cc(Br)nn1C.
What is the InChIKey of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide?
The InChIKey is QEZPIRKRIPTKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-10(2,9(15)13(3)4)7-6-8(11)12-14(7)5/h6H,1-5H3.
What are the key properties of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide?
2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide has a molecular weight of 274.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 118690456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).