2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide

C17H17BrN4O — CID 108746538

IUPAC2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
SMILESCCC(Br)C(=O)Nc1cc(C)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C17H17BrN4O/c1-3-13(18)17(23)20-16-10-11(2)21-22(16)15-9-8-12-6-4-5-7-14(12)19-15/h4-10,13H,3H2,1-2H3,(H,20,23)
InChIKeyHOEQTTKSTJCDLZ-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide

2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide (PubChem CID 108746538) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
PubChem CID108746538
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
SMILESCCC(Br)C(=O)Nc1cc(C)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C17H17BrN4O/c1-3-13(18)17(23)20-16-10-11(2)21-22(16)15-9-8-12-6-4-5-7-14(12)19-15/h4-10,13H,3H2,1-2H3,(H,20,23)
InChIKeyHOEQTTKSTJCDLZ-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 108778727
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768806
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
CID 108747189
[2-methoxy-4-[(E)-3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]phenyl] acetate
CID 108768795
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797812
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide?
The IUPAC name of 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide (CID 108746538) is 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide?
The canonical SMILES for 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide is CCC(Br)C(=O)Nc1cc(C)nn1-c1ccc2ccccc2n1.
What is the InChIKey of 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide?
The InChIKey is HOEQTTKSTJCDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-3-13(18)17(23)20-16-10-11(2)21-22(16)15-9-8-12-6-4-5-7-14(12)19-15/h4-10,13H,3H2,1-2H3,(H,20,23).
What are the key properties of 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide?
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide has a molecular weight of 373.25 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide is sourced from PubChem (CID 108746538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).