1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine

C13H20N4 — CID 60802014

IUPAC1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
SMILESCc1nn(C)c(C)c1C#CCN1CCNCC1
InChIInChI=1S/C13H20N4/c1-11-13(12(2)16(3)15-11)5-4-8-17-9-6-14-7-10-17/h14H,6-10H2,1-3H3
InChIKeyHTWUDHOMHQHPDM-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.29
Rot. Bonds1

About 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine

1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine (PubChem CID 60802014) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
PubChem CID60802014
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
SMILESCc1nn(C)c(C)c1C#CCN1CCNCC1
InChIInChI=1S/C13H20N4/c1-11-13(12(2)16(3)15-11)5-4-8-17-9-6-14-7-10-17/h14H,6-10H2,1-3H3
InChIKeyHTWUDHOMHQHPDM-UHFFFAOYSA-N
XLogP0.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine?
The IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine (CID 60802014) is 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine is Cc1nn(C)c(C)c1C#CCN1CCNCC1.
What is the InChIKey of 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine?
The InChIKey is HTWUDHOMHQHPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-13(12(2)16(3)15-11)5-4-8-17-9-6-14-7-10-17/h14H,6-10H2,1-3H3.
What are the key properties of 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine?
1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine has a molecular weight of 232.33 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine is sourced from PubChem (CID 60802014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).