2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide

C10H16BrN3O — CID 62854654

IUPAC2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
SMILESCCC(Br)C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C10H16BrN3O/c1-3-9(11)10(15)13-8(2)7-14-6-4-5-12-14/h4-6,8-9H,3,7H2,1-2H3,(H,13,15)
InChIKeyKJSMCTFKQQVORZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.56
Rot. Bonds5

About 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide

2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide (PubChem CID 62854654) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
PubChem CID62854654
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
SMILESCCC(Br)C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C10H16BrN3O/c1-3-9(11)10(15)13-8(2)7-14-6-4-5-12-14/h4-6,8-9H,3,7H2,1-2H3,(H,13,15)
InChIKeyKJSMCTFKQQVORZ-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 43695389
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 61154759
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
CID 120670649
(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 109374296
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
CID 100842753

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
The IUPAC name of 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide (CID 62854654) is 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide is CCC(Br)C(=O)NC(C)Cn1cccn1.
What is the InChIKey of 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
The InChIKey is KJSMCTFKQQVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-9(11)10(15)13-8(2)7-14-6-4-5-12-14/h4-6,8-9H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide has a molecular weight of 274.16 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 62854654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).