6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

C16H13BrN4O — CID 118716976

IUPAC6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(Br)nc3)n[nH]2)cc1
InChIInChI=1S/C16H13BrN4O/c1-10-2-4-11(5-3-10)13-8-15(21-20-13)19-16(22)12-6-7-14(17)18-9-12/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyINTOBMFDZWDGRI-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.79
Rot. Bonds3

About 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 118716976) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID118716976
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(Br)nc3)n[nH]2)cc1
InChIInChI=1S/C16H13BrN4O/c1-10-2-4-11(5-3-10)13-8-15(21-20-13)19-16(22)12-6-7-14(17)18-9-12/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyINTOBMFDZWDGRI-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 118716976) is 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3ccc(Br)nc3)n[nH]2)cc1.
What is the InChIKey of 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is INTOBMFDZWDGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c1-10-2-4-11(5-3-10)13-8-15(21-20-13)19-16(22)12-6-7-14(17)18-9-12/h2-9H,1H3,(H2,19,20,21,22).
What are the key properties of 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118716976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).