1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide

C11H7BrN4O — CID 114902313

IUPAC1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide
SMILESN#Cc1ccc(Br)cc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C11H7BrN4O/c12-8-2-1-7(6-13)10(5-8)16-4-3-9(15-16)11(14)17/h1-5H,(H2,14,17)
InChIKeyIVAHWNNMOVTTQY-UHFFFAOYSA-N
MW291.11 g/mol
LogP1.61
Rot. Bonds2

About 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide

1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide (PubChem CID 114902313) has the molecular formula C11H7BrN4O and a molecular weight of 291.11 g/mol. Its IUPAC name is 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide
PubChem CID114902313
Molecular FormulaC11H7BrN4O
Molecular Weight291.11 g/mol
Exact Mass289.98
IUPAC Name1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide
SMILESN#Cc1ccc(Br)cc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C11H7BrN4O/c12-8-2-1-7(6-13)10(5-8)16-4-3-9(15-16)11(14)17/h1-5H,(H2,14,17)
InChIKeyIVAHWNNMOVTTQY-UHFFFAOYSA-N
XLogP1.61
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide
CID 64780779
1-(4-bromo-2-nitrophenyl)pyrazole-3-carboxamide
CID 64781002
4-bromo-2-(3-propan-2-ylpyrazol-1-yl)benzonitrile
CID 114902305
4-bromo-2-(1,2,4-triazol-4-yl)benzonitrile
CID 84706834
1-(5-bromo-2-cyanophenyl)pyrazole-4-carboxylic acid
CID 114907014
ethyl 1-(5-bromo-2-cyanophenyl)imidazole-4-carboxylate
CID 114203807
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
CID 64780351
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
CID 64780381
1-(2-cyano-4-methylphenyl)pyrazole-3-carboxylic acid
CID 107931930

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide (CID 114902313) is 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide is N#Cc1ccc(Br)cc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide?
The InChIKey is IVAHWNNMOVTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O/c12-8-2-1-7(6-13)10(5-8)16-4-3-9(15-16)11(14)17/h1-5H,(H2,14,17).
What are the key properties of 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide?
1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide has a molecular weight of 291.11 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 114902313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).