N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide

C11H10BrClN4O — CID 102979193

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Br)cnc1Cl)n1cccn1
InChIInChI=1S/C11H10BrClN4O/c1-7(17-4-2-3-15-17)11(18)16-9-5-8(12)6-14-10(9)13/h2-7H,1H3,(H,16,18)
InChIKeyHQWYXHMTCLRKDK-UHFFFAOYSA-N
MW329.59 g/mol
LogP2.89
Rot. Bonds3

About N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide

N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide (PubChem CID 102979193) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
PubChem CID102979193
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Br)cnc1Cl)n1cccn1
InChIInChI=1S/C11H10BrClN4O/c1-7(17-4-2-3-15-17)11(18)16-9-5-8(12)6-14-10(9)13/h2-7H,1H3,(H,16,18)
InChIKeyHQWYXHMTCLRKDK-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113250420
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 104880147
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
methyl 4-chloro-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 134048539
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113252041
N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42884870
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide (CID 102979193) is N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cc(Br)cnc1Cl)n1cccn1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is HQWYXHMTCLRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-7(17-4-2-3-15-17)11(18)16-9-5-8(12)6-14-10(9)13/h2-7H,1H3,(H,16,18).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 329.59 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 102979193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).