3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide

C8H12BrN3O — CID 104617783

IUPAC3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
SMILESCCc1cn[nH]c1NC(=O)CCBr
InChIInChI=1S/C8H12BrN3O/c1-2-6-5-10-12-8(6)11-7(13)3-4-9/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyWRNYHTGOCRABEC-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.70
Rot. Bonds4

About 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide

3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide (PubChem CID 104617783) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
PubChem CID104617783
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
SMILESCCc1cn[nH]c1NC(=O)CCBr
InChIInChI=1S/C8H12BrN3O/c1-2-6-5-10-12-8(6)11-7(13)3-4-9/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyWRNYHTGOCRABEC-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide
CID 104617778
N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115692372
N-(4-ethyl-1H-pyrazol-5-yl)-2-propan-2-yloxyacetamide
CID 115692319
N-(4-ethyl-1H-pyrazol-5-yl)-3-piperidin-2-ylpropanamide
CID 104619290
3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
CID 113251561
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 112698671
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methoxyphenyl)acetamide
CID 112697113
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide (CID 104617783) is 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide is CCc1cn[nH]c1NC(=O)CCBr.
What is the InChIKey of 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is WRNYHTGOCRABEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-2-6-5-10-12-8(6)11-7(13)3-4-9/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 246.11 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 104617783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).