2-(4-bromopyrazol-1-yl)-N-methylacetamide

C6H8BrN3O — CID 19524760

IUPAC2-(4-bromopyrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(Br)cn1
InChIInChI=1S/C6H8BrN3O/c1-8-6(11)4-10-3-5(7)2-9-10/h2-3H,4H2,1H3,(H,8,11)
InChIKeyTWHACBMAWLNUBF-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.39
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-N-methylacetamide

2-(4-bromopyrazol-1-yl)-N-methylacetamide (PubChem CID 19524760) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-methylacetamide
PubChem CID19524760
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name2-(4-bromopyrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(Br)cn1
InChIInChI=1S/C6H8BrN3O/c1-8-6(11)4-10-3-5(7)2-9-10/h2-3H,4H2,1H3,(H,8,11)
InChIKeyTWHACBMAWLNUBF-UHFFFAOYSA-N
XLogP0.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 60582948
2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-bromo-1H-pyrazol-1-yl)ethan-1-amine
CID 7019313
1-(4-bromo-1H-pyrazol-1-yl)propan-2-one
CID 19576908
2-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 50988940
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19537684
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 19537733
2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 19537734
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
1-Acetyl-4-bromopyrazole
CID 4866686
3-(4-Bromo-1H-pyrazol-1-yl)propanamide
CID 45791238

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-methylacetamide (CID 19524760) is 2-(4-bromopyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-methylacetamide is CNC(=O)Cn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-methylacetamide?
The InChIKey is TWHACBMAWLNUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-8-6(11)4-10-3-5(7)2-9-10/h2-3H,4H2,1H3,(H,8,11).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-methylacetamide?
2-(4-bromopyrazol-1-yl)-N-methylacetamide has a molecular weight of 218.05 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 19524760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).