5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide

C11H18BrN3O — CID 106033595

IUPAC5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
SMILESCc1c(CNC(=O)CCCCBr)cnn1C
InChIInChI=1S/C11H18BrN3O/c1-9-10(8-14-15(9)2)7-13-11(16)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyGETFJFLOMAZEHS-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.91
Rot. Bonds6

About 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide (PubChem CID 106033595) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
PubChem CID106033595
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
SMILESCc1c(CNC(=O)CCCCBr)cnn1C
InChIInChI=1S/C11H18BrN3O/c1-9-10(8-14-15(9)2)7-13-11(16)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyGETFJFLOMAZEHS-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 107909826
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
CID 106047363
2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492095
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4866924
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide (CID 106033595) is 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide is Cc1c(CNC(=O)CCCCBr)cnn1C.
What is the InChIKey of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is GETFJFLOMAZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9-10(8-14-15(9)2)7-13-11(16)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide?
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 288.19 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 106033595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).