5-amino-1-benzoylpyrazole-4-carbonitrile

C11H8N4O — CID 15403496

IUPAC5-amino-1-benzoylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2ccccc2)c1N
InChIInChI=1S/C11H8N4O/c12-6-9-7-14-15(10(9)13)11(16)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKeyDZTOYLIIAGWEJI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.03
Rot. Bonds1

About 5-amino-1-benzoylpyrazole-4-carbonitrile

5-amino-1-benzoylpyrazole-4-carbonitrile (PubChem CID 15403496) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-amino-1-benzoylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-benzoylpyrazole-4-carbonitrile
PubChem CID15403496
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name5-amino-1-benzoylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2ccccc2)c1N
InChIInChI=1S/C11H8N4O/c12-6-9-7-14-15(10(9)13)11(16)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKeyDZTOYLIIAGWEJI-UHFFFAOYSA-N
XLogP1.03
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzoylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-benzoylpyrazole-4-carbonitrile (CID 15403496) is 5-amino-1-benzoylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-benzoylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-benzoylpyrazole-4-carbonitrile is N#Cc1cnn(C(=O)c2ccccc2)c1N.
What is the InChIKey of 5-amino-1-benzoylpyrazole-4-carbonitrile?
The InChIKey is DZTOYLIIAGWEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-6-9-7-14-15(10(9)13)11(16)8-4-2-1-3-5-8/h1-5,7H,13H2.
What are the key properties of 5-amino-1-benzoylpyrazole-4-carbonitrile?
5-amino-1-benzoylpyrazole-4-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzoylpyrazole-4-carbonitrile is sourced from PubChem (CID 15403496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).