(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide

C10H11BrN4O2 — CID 175588251

IUPAC(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide
SMILESCC[C@@H](Br)C(=O)Nc1cnn2c(=O)[nH]ccc12
InChIInChI=1S/C10H11BrN4O2/c1-2-6(11)9(16)14-7-5-13-15-8(7)3-4-12-10(15)17/h3-6H,2H2,1H3,(H,12,17)(H,14,16)/t6-/m1/s1
InChIKeyXPWQLIWBXOUBRQ-ZCFIWIBFSA-N
MW299.13 g/mol
LogP1.13
Rot. Bonds3

About (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide

(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide (PubChem CID 175588251) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide
PubChem CID175588251
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide
SMILESCC[C@@H](Br)C(=O)Nc1cnn2c(=O)[nH]ccc12
InChIInChI=1S/C10H11BrN4O2/c1-2-6(11)9(16)14-7-5-13-15-8(7)3-4-12-10(15)17/h3-6H,2H2,1H3,(H,12,17)(H,14,16)/t6-/m1/s1
InChIKeyXPWQLIWBXOUBRQ-ZCFIWIBFSA-N
XLogP1.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide?
The IUPAC name of (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide (CID 175588251) is (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide?
The canonical SMILES for (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide is CC[C@@H](Br)C(=O)Nc1cnn2c(=O)[nH]ccc12.
What is the InChIKey of (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide?
The InChIKey is XPWQLIWBXOUBRQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-2-6(11)9(16)14-7-5-13-15-8(7)3-4-12-10(15)17/h3-6H,2H2,1H3,(H,12,17)(H,14,16)/t6-/m1/s1.
What are the key properties of (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide?
(2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide has a molecular weight of 299.13 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)butanamide is sourced from PubChem (CID 175588251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).