2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile

C12H19N5 — CID 43502485

IUPAC2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
SMILESCc1nn(C)c(C)c1C(C#N)N1CCNCC1
InChIInChI=1S/C12H19N5/c1-9-12(10(2)16(3)15-9)11(8-13)17-6-4-14-5-7-17/h11,14H,4-7H2,1-3H3
InChIKeyRBRXXVRAUAUUQY-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.51
Rot. Bonds2

About 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile

2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile (PubChem CID 43502485) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
PubChem CID43502485
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
SMILESCc1nn(C)c(C)c1C(C#N)N1CCNCC1
InChIInChI=1S/C12H19N5/c1-9-12(10(2)16(3)15-9)11(8-13)17-6-4-14-5-7-17/h11,14H,4-7H2,1-3H3
InChIKeyRBRXXVRAUAUUQY-UHFFFAOYSA-N
XLogP0.51
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile (CID 43502485) is 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile is Cc1nn(C)c(C)c1C(C#N)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
The InChIKey is RBRXXVRAUAUUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-12(10(2)16(3)15-9)11(8-13)17-6-4-14-5-7-17/h11,14H,4-7H2,1-3H3.
What are the key properties of 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile?
2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile has a molecular weight of 233.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 43502485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).