ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile

C11H19N3 — CID 168929154

IUPACethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile
SMILESCC.CC(C)c1cnn(C(C)C#N)c1
InChIInChI=1S/C9H13N3.C2H6/c1-7(2)9-5-11-12(6-9)8(3)4-10;1-2/h5-8H,1-3H3;1-2H3
InChIKeyVNDBBUXVIWPUAC-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.12
Rot. Bonds2

About ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile

ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile (PubChem CID 168929154) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Nameethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile
PubChem CID168929154
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nameethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile
SMILESCC.CC(C)c1cnn(C(C)C#N)c1
InChIInChI=1S/C9H13N3.C2H6/c1-7(2)9-5-11-12(6-9)8(3)4-10;1-2/h5-8H,1-3H3;1-2H3
InChIKeyVNDBBUXVIWPUAC-UHFFFAOYSA-N
XLogP3.12
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile?
The IUPAC name of ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile (CID 168929154) is ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile?
The canonical SMILES for ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile is CC.CC(C)c1cnn(C(C)C#N)c1.
What is the InChIKey of ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile?
The InChIKey is VNDBBUXVIWPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-7(2)9-5-11-12(6-9)8(3)4-10;1-2/h5-8H,1-3H3;1-2H3.
What are the key properties of ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile?
ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile has a molecular weight of 193.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 168929154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).