5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile

C11H9N5O2 — CID 51100200

IUPAC5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile
SMILESCn1ccc(C(=O)n2ncc(C#N)c2N)cc1=O
InChIInChI=1S/C11H9N5O2/c1-15-3-2-7(4-9(15)17)11(18)16-10(13)8(5-12)6-14-16/h2-4,6H,13H2,1H3
InChIKeySNDDMUUWBSZVGH-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.28
Rot. Bonds1

About 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile

5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile (PubChem CID 51100200) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile
PubChem CID51100200
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile
SMILESCn1ccc(C(=O)n2ncc(C#N)c2N)cc1=O
InChIInChI=1S/C11H9N5O2/c1-15-3-2-7(4-9(15)17)11(18)16-10(13)8(5-12)6-14-16/h2-4,6H,13H2,1H3
InChIKeySNDDMUUWBSZVGH-UHFFFAOYSA-N
XLogP-0.28
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile (CID 51100200) is 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile is Cn1ccc(C(=O)n2ncc(C#N)c2N)cc1=O.
What is the InChIKey of 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is SNDDMUUWBSZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-15-3-2-7(4-9(15)17)11(18)16-10(13)8(5-12)6-14-16/h2-4,6H,13H2,1H3.
What are the key properties of 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile?
5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 51100200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).