N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide

C10H9BrN4O — CID 103789408

IUPACN-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Br)nc1
InChIInChI=1S/C10H9BrN4O/c11-9-3-2-8(6-12-9)14-10(16)7-15-5-1-4-13-15/h1-6H,7H2,(H,14,16)
InChIKeyRREZLELRCYKLMX-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.68
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide

N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide (PubChem CID 103789408) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
PubChem CID103789408
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC NameN-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Br)nc1
InChIInChI=1S/C10H9BrN4O/c11-9-3-2-8(6-12-9)14-10(16)7-15-5-1-4-13-15/h1-6H,7H2,(H,14,16)
InChIKeyRREZLELRCYKLMX-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.68
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-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 141085051
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106
N-(3-phenoxyphenyl)-2-pyrazol-1-ylacetamide
CID 51272460
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316044
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
CID 103813939

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide (CID 103789408) is N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide?
The InChIKey is RREZLELRCYKLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-9-3-2-8(6-12-9)14-10(16)7-15-5-1-4-13-15/h1-6H,7H2,(H,14,16).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide?
N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide has a molecular weight of 281.11 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 103789408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).