N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide

C13H11BrN4O — CID 104880147

IUPACN-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Br)ccc1C#N)n1cccn1
InChIInChI=1S/C13H11BrN4O/c1-9(18-6-2-5-16-18)13(19)17-12-7-11(14)4-3-10(12)8-15/h2-7,9H,1H3,(H,17,19)
InChIKeyHFXWNFYEYSWKCL-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.72
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide

N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 104880147) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
PubChem CID104880147
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Br)ccc1C#N)n1cccn1
InChIInChI=1S/C13H11BrN4O/c1-9(18-6-2-5-16-18)13(19)17-12-7-11(14)4-3-10(12)8-15/h2-7,9H,1H3,(H,17,19)
InChIKeyHFXWNFYEYSWKCL-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

N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
N-(4-bromo-2-ethylphenyl)-2-pyrazol-1-ylpropanamide
CID 81004249
N-(5-bromo-2-chloro-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 102979193
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-3-methylbutanamide
CID 114002534
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide (CID 104880147) is N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cc(Br)ccc1C#N)n1cccn1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is HFXWNFYEYSWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-9(18-6-2-5-16-18)13(19)17-12-7-11(14)4-3-10(12)8-15/h2-7,9H,1H3,(H,17,19).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide?
N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide 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 N-(5-bromo-2-cyanophenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 104880147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).