2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide

C13H11BrN4O — CID 45153765

IUPAC2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)n1cc(Br)cn1
InChIInChI=1S/C13H11BrN4O/c1-9(18-8-11(14)7-16-18)13(19)17-12-4-2-10(6-15)3-5-12/h2-5,7-9H,1H3,(H,17,19)
InChIKeyAUOQXGSRACXTDR-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide

2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 45153765) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID45153765
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)n1cc(Br)cn1
InChIInChI=1S/C13H11BrN4O/c1-9(18-8-11(14)7-16-18)13(19)17-12-4-2-10(6-15)3-5-12/h2-5,7-9H,1H3,(H,17,19)
InChIKeyAUOQXGSRACXTDR-UHFFFAOYSA-N
XLogP2.72
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537517
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide (CID 45153765) is 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide is CC(C(=O)Nc1ccc(C#N)cc1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is AUOQXGSRACXTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-9(18-8-11(14)7-16-18)13(19)17-12-4-2-10(6-15)3-5-12/h2-5,7-9H,1H3,(H,17,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide?
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 319.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 45153765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).