2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide

C11H18BrN3O — CID 62855381

IUPAC2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C11H18BrN3O/c1-5-10(12)11(16)14-7(2)9-6-13-15(4)8(9)3/h6-7,10H,5H2,1-4H3,(H,14,16)
InChIKeyPQVAJQDZKHNMPZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.08
Rot. Bonds4

About 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide

2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide (PubChem CID 62855381) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
PubChem CID62855381
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C11H18BrN3O/c1-5-10(12)11(16)14-7(2)9-6-13-15(4)8(9)3/h6-7,10H,5H2,1-4H3,(H,14,16)
InChIKeyPQVAJQDZKHNMPZ-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 124755441
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
3-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylbenzamide
CID 104852148
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide (CID 62855381) is 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide is CCC(Br)C(=O)NC(C)c1cnn(C)c1C.
What is the InChIKey of 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is PQVAJQDZKHNMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-5-10(12)11(16)14-7(2)9-6-13-15(4)8(9)3/h6-7,10H,5H2,1-4H3,(H,14,16).
What are the key properties of 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 288.19 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 62855381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).