3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide

C17H15BrN4O2 — CID 1235939

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cn3cc(Br)cn3)c2)cn1
InChIInChI=1S/C17H15BrN4O2/c1-24-16-6-5-15(9-19-16)21-17(23)13-4-2-3-12(7-13)10-22-11-14(18)8-20-22/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyXHKWLKSDMMSRIY-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.35
Rot. Bonds5

About 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide

3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 1235939) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID1235939
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cn3cc(Br)cn3)c2)cn1
InChIInChI=1S/C17H15BrN4O2/c1-24-16-6-5-15(9-19-16)21-17(23)13-4-2-3-12(7-13)10-22-11-14(18)8-20-22/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyXHKWLKSDMMSRIY-UHFFFAOYSA-N
XLogP3.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide (CID 1235939) is 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc(Cn3cc(Br)cn3)c2)cn1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is XHKWLKSDMMSRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-24-16-6-5-15(9-19-16)21-17(23)13-4-2-3-12(7-13)10-22-11-14(18)8-20-22/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 387.24 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 1235939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).