2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide

C10H16BrN3O — CID 82110660

IUPAC2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
SMILESCC(Br)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H16BrN3O/c1-6(11)9(15)12-8-5-7(13-14-8)10(2,3)4/h5-6H,1-4H3,(H2,12,13,14,15)
InChIKeyMWWOXMAELNYAHR-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.43
Rot. Bonds2

About 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide

2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide (PubChem CID 82110660) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
PubChem CID82110660
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
SMILESCC(Br)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H16BrN3O/c1-6(11)9(15)12-8-5-7(13-14-8)10(2,3)4/h5-6H,1-4H3,(H2,12,13,14,15)
InChIKeyMWWOXMAELNYAHR-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide (CID 82110660) is 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide is CC(Br)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is MWWOXMAELNYAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6(11)9(15)12-8-5-7(13-14-8)10(2,3)4/h5-6H,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 274.16 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 82110660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).