4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide

C17H15BrN4O — CID 55629173

IUPAC4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccccn1
InChIInChI=1S/C17H15BrN4O/c1-12(16-4-2-3-9-19-16)21-17(23)13-5-7-15(8-6-13)22-11-14(18)10-20-22/h2-12H,1H3,(H,21,23)
InChIKeyNXPHPZHBQWKTBH-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.52
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide

4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 55629173) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID55629173
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccccn1
InChIInChI=1S/C17H15BrN4O/c1-12(16-4-2-3-9-19-16)21-17(23)13-5-7-15(8-6-13)22-11-14(18)10-20-22/h2-12H,1H3,(H,21,23)
InChIKeyNXPHPZHBQWKTBH-UHFFFAOYSA-N
XLogP3.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 35697497
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
ethyl 5-methyl-1-[4-(1-pyridin-2-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 55649826
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24645556

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide (CID 55629173) is 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1ccc(-n2cc(Br)cn2)cc1)c1ccccn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is NXPHPZHBQWKTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-12(16-4-2-3-9-19-16)21-17(23)13-5-7-15(8-6-13)22-11-14(18)10-20-22/h2-12H,1H3,(H,21,23).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 371.24 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 55629173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).