2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile

C8H12N4 — CID 118365761

IUPAC2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile
SMILESCc1nn(C(C)(C)C#N)cc1N
InChIInChI=1S/C8H12N4/c1-6-7(10)4-12(11-6)8(2,3)5-9/h4H,10H2,1-3H3
InChIKeyBFALMXAGRXTAGV-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.03
Rot. Bonds1

About 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile

2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile (PubChem CID 118365761) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile
PubChem CID118365761
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile
SMILESCc1nn(C(C)(C)C#N)cc1N
InChIInChI=1S/C8H12N4/c1-6-7(10)4-12(11-6)8(2,3)5-9/h4H,10H2,1-3H3
InChIKeyBFALMXAGRXTAGV-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile (CID 118365761) is 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile is Cc1nn(C(C)(C)C#N)cc1N.
What is the InChIKey of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile?
The InChIKey is BFALMXAGRXTAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-7(10)4-12(11-6)8(2,3)5-9/h4H,10H2,1-3H3.
What are the key properties of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile?
2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile has a molecular weight of 164.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 118365761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).