2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile

C8H12N4 — CID 69038672

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile
SMILESCn1nc(C(C)(C)C#N)cc1N
InChIInChI=1S/C8H12N4/c1-8(2,5-9)6-4-7(10)12(3)11-6/h4H,10H2,1-3H3
InChIKeyLZPVJPXUQZMWTH-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.80
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile

2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile (PubChem CID 69038672) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile
PubChem CID69038672
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile
SMILESCn1nc(C(C)(C)C#N)cc1N
InChIInChI=1S/C8H12N4/c1-8(2,5-9)6-4-7(10)12(3)11-6/h4H,10H2,1-3H3
InChIKeyLZPVJPXUQZMWTH-UHFFFAOYSA-N
XLogP0.80
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile (CID 69038672) is 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile is Cn1nc(C(C)(C)C#N)cc1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile?
The InChIKey is LZPVJPXUQZMWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-8(2,5-9)6-4-7(10)12(3)11-6/h4H,10H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile?
2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile has a molecular weight of 164.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanenitrile is sourced from PubChem (CID 69038672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).