(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide

C8H12BrN3O2 — CID 129452314

IUPAC(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
SMILESCOc1nn(C)cc1NC(=O)[C@@H](C)Br
InChIInChI=1S/C8H12BrN3O2/c1-5(9)7(13)10-6-4-12(2)11-8(6)14-3/h4-5H,1-3H3,(H,10,13)/t5-/m1/s1
InChIKeyWIHRTSNJHWAHDB-RXMQYKEDSA-N
MW262.11 g/mol
LogP1.15
Rot. Bonds3

About (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide

(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide (PubChem CID 129452314) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
PubChem CID129452314
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
SMILESCOc1nn(C)cc1NC(=O)[C@@H](C)Br
InChIInChI=1S/C8H12BrN3O2/c1-5(9)7(13)10-6-4-12(2)11-8(6)14-3/h4-5H,1-3H3,(H,10,13)/t5-/m1/s1
InChIKeyWIHRTSNJHWAHDB-RXMQYKEDSA-N
XLogP1.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide (CID 129452314) is (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide is COc1nn(C)cc1NC(=O)[C@@H](C)Br.
What is the InChIKey of (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
The InChIKey is WIHRTSNJHWAHDB-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-5(9)7(13)10-6-4-12(2)11-8(6)14-3/h4-5H,1-3H3,(H,10,13)/t5-/m1/s1.
What are the key properties of (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide has a molecular weight of 262.11 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 129452314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).