1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine

C19H20N6 — CID 166265294

IUPAC1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine
SMILESC(#Cc1cnn(-c2ccccc2)c1)CN1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C19H20N6/c1-2-6-18(7-3-1)25-16-17(15-22-25)5-4-10-23-11-13-24(14-12-23)19-20-8-9-21-19/h1-3,6-9,15-16H,10-14H2,(H,20,21)
InChIKeyLXTJCXXJEWSLMD-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.77
Rot. Bonds3

About 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine

1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine (PubChem CID 166265294) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine
PubChem CID166265294
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine
SMILESC(#Cc1cnn(-c2ccccc2)c1)CN1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C19H20N6/c1-2-6-18(7-3-1)25-16-17(15-22-25)5-4-10-23-11-13-24(14-12-23)19-20-8-9-21-19/h1-3,6-9,15-16H,10-14H2,(H,20,21)
InChIKeyLXTJCXXJEWSLMD-UHFFFAOYSA-N
XLogP1.77
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-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-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine?
The IUPAC name of 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine (CID 166265294) is 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine is C(#Cc1cnn(-c2ccccc2)c1)CN1CCN(c2ncc[nH]2)CC1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine?
The InChIKey is LXTJCXXJEWSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-6-18(7-3-1)25-16-17(15-22-25)5-4-10-23-11-13-24(14-12-23)19-20-8-9-21-19/h1-3,6-9,15-16H,10-14H2,(H,20,21).
What are the key properties of 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine?
1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine has a molecular weight of 332.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-4-[3-(1-phenylpyrazol-4-yl)prop-2-ynyl]piperazine is sourced from PubChem (CID 166265294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).