N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide

C9H7BrN4O — CID 60778171

IUPACN-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccn[nH]1
InChIInChI=1S/C9H7BrN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15)
InChIKeyMYTDBLSYJSBIQD-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.82
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide

N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 60778171) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID60778171
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC NameN-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccn[nH]1
InChIInChI=1S/C9H7BrN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15)
InChIKeyMYTDBLSYJSBIQD-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

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Related Compounds

N-(5-ethyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 139271830
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N-(5-bromo-2-pyridinyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
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N-(5-bromo-2-pyridinyl)-4-iodobenzamide
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CID 103789326
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
2-amino-N-(5-bromo-2-pyridinyl)benzamide
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N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
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CID 118062540

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide (CID 60778171) is N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Br)cn1)c1ccn[nH]1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MYTDBLSYJSBIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15).
What are the key properties of N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide?
N-(5-bromo-2-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-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 60778171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).