5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile

C10H9N5O — CID 57423269

IUPAC5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
SMILESCOc1cccc(-n2ncc(C#N)c2N)n1
InChIInChI=1S/C10H9N5O/c1-16-9-4-2-3-8(14-9)15-10(12)7(5-11)6-13-15/h2-4,6H,12H2,1H3
InChIKeyLEJIJMNMLGCBQV-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.73
Rot. Bonds2

About 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile

5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile (PubChem CID 57423269) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
PubChem CID57423269
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
SMILESCOc1cccc(-n2ncc(C#N)c2N)n1
InChIInChI=1S/C10H9N5O/c1-16-9-4-2-3-8(14-9)15-10(12)7(5-11)6-13-15/h2-4,6H,12H2,1H3
InChIKeyLEJIJMNMLGCBQV-UHFFFAOYSA-N
XLogP0.73
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile (CID 57423269) is 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile is COc1cccc(-n2ncc(C#N)c2N)n1.
What is the InChIKey of 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile?
The InChIKey is LEJIJMNMLGCBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-16-9-4-2-3-8(14-9)15-10(12)7(5-11)6-13-15/h2-4,6H,12H2,1H3.
What are the key properties of 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile?
5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile has a molecular weight of 215.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 57423269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).