1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile

C11H17N5 — CID 103005283

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile
SMILESCn1nccc1CCN1CCNCC1C#N
InChIInChI=1S/C11H17N5/c1-15-10(2-4-14-15)3-6-16-7-5-13-9-11(16)8-12/h2,4,11,13H,3,5-7,9H2,1H3
InChIKeyKAVZFXHQBPIQIP-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.24
Rot. Bonds3

About 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile

1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile (PubChem CID 103005283) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile
PubChem CID103005283
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile
SMILESCn1nccc1CCN1CCNCC1C#N
InChIInChI=1S/C11H17N5/c1-15-10(2-4-14-15)3-6-16-7-5-13-9-11(16)8-12/h2,4,11,13H,3,5-7,9H2,1H3
InChIKeyKAVZFXHQBPIQIP-UHFFFAOYSA-N
XLogP-0.24
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile (CID 103005283) is 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile is Cn1nccc1CCN1CCNCC1C#N.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile?
The InChIKey is KAVZFXHQBPIQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-10(2-4-14-15)3-6-16-7-5-13-9-11(16)8-12/h2,4,11,13H,3,5-7,9H2,1H3.
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile?
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 103005283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).