2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide

C19H18BrFN4O — CID 56550955

IUPAC2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(F)ccc2Br)n(-c2ccccn2)n1
InChIInChI=1S/C19H18BrFN4O/c1-19(2,3)15-11-17(25(24-15)16-6-4-5-9-22-16)23-18(26)13-10-12(21)7-8-14(13)20/h4-11H,1-3H3,(H,23,26)
InChIKeyPXQRCCFZDGKNIK-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.72
Rot. Bonds3

About 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide

2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide (PubChem CID 56550955) has the molecular formula C19H18BrFN4O and a molecular weight of 417.28 g/mol. Its IUPAC name is 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
PubChem CID56550955
Molecular FormulaC19H18BrFN4O
Molecular Weight417.28 g/mol
Exact Mass416.06
IUPAC Name2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cc(F)ccc2Br)n(-c2ccccn2)n1
InChIInChI=1S/C19H18BrFN4O/c1-19(2,3)15-11-17(25(24-15)16-6-4-5-9-22-16)23-18(26)13-10-12(21)7-8-14(13)20/h4-11H,1-3H3,(H,23,26)
InChIKeyPXQRCCFZDGKNIK-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 56550345
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-bromo-5-fluorobenzamide
CID 55555171
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739
2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
CID 56531553
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56550411
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide (CID 56550955) is 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide is CC(C)(C)c1cc(NC(=O)c2cc(F)ccc2Br)n(-c2ccccn2)n1.
What is the InChIKey of 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide?
The InChIKey is PXQRCCFZDGKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O/c1-19(2,3)15-11-17(25(24-15)16-6-4-5-9-22-16)23-18(26)13-10-12(21)7-8-14(13)20/h4-11H,1-3H3,(H,23,26).
What are the key properties of 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide?
2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide has a molecular weight of 417.28 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide is sourced from PubChem (CID 56550955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).