2-(4-bromopyrazol-1-yl)propanamide

C6H8BrN3O — CID 46318313

IUPAC2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(N)=O)n1cc(Br)cn1
InChIInChI=1S/C6H8BrN3O/c1-4(6(8)11)10-3-5(7)2-9-10/h2-4H,1H3,(H2,8,11)
InChIKeyLOMVMWBODURVTR-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.69
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)propanamide

2-(4-bromopyrazol-1-yl)propanamide (PubChem CID 46318313) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)propanamide
PubChem CID46318313
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(N)=O)n1cc(Br)cn1
InChIInChI=1S/C6H8BrN3O/c1-4(6(8)11)10-3-5(7)2-9-10/h2-4H,1H3,(H2,8,11)
InChIKeyLOMVMWBODURVTR-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 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 ≤ 50.69
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
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
2-(4-Bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 45153794
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45153795
2-(4-Bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 56725086
2-(1H-pyrazol-1-yl)propanamide
CID 25248322

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)propanamide (CID 46318313) is 2-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)propanamide is CC(C(N)=O)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is LOMVMWBODURVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-4(6(8)11)10-3-5(7)2-9-10/h2-4H,1H3,(H2,8,11).
What are the key properties of 2-(4-bromopyrazol-1-yl)propanamide?
2-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 218.05 g/mol, XLogP of 0.69, 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)propanamide is sourced from PubChem (CID 46318313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).