5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile

C8H10N4O — CID 110470306

IUPAC5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile
SMILESCC(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C8H10N4O/c1-5(2)8(13)12-7(10)6(3-9)4-11-12/h4-5H,10H2,1-2H3
InChIKeyYVNXNYQJEMWDIL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.63
Rot. Bonds1

About 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile

5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile (PubChem CID 110470306) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile
PubChem CID110470306
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile
SMILESCC(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C8H10N4O/c1-5(2)8(13)12-7(10)6(3-9)4-11-12/h4-5H,10H2,1-2H3
InChIKeyYVNXNYQJEMWDIL-UHFFFAOYSA-N
XLogP0.63
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile (CID 110470306) is 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile is CC(C)C(=O)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile?
The InChIKey is YVNXNYQJEMWDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5(2)8(13)12-7(10)6(3-9)4-11-12/h4-5H,10H2,1-2H3.
What are the key properties of 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile?
5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpropanoyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 110470306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).