N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide

C9H7BrN4O — CID 103789326

IUPACN-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccn[nH]1
InChIInChI=1S/C9H7BrN4O/c10-8-2-1-6(5-11-8)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,13,15)
InChIKeyIKROLWIIWOZABI-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.82
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide

N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 103789326) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID103789326
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC NameN-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccn[nH]1
InChIInChI=1S/C9H7BrN4O/c10-8-2-1-6(5-11-8)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,13,15)
InChIKeyIKROLWIIWOZABI-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 60778171
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 103789487
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 103789326) is N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Br)nc1)c1ccn[nH]1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IKROLWIIWOZABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-8-2-1-6(5-11-8)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,13,15).
What are the key properties of N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 267.09 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 103789326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).