1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole

C15H16N8 — CID 5250385

IUPAC1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole
SMILESc1cnn(C(CC(n2cccn2)n2cccn2)n2cccn2)c1
InChIInChI=1S/C15H16N8/c1-5-16-20(9-1)14(21-10-2-6-17-21)13-15(22-11-3-7-18-22)23-12-4-8-19-23/h1-12,14-15H,13H2
InChIKeyUPYYMRCIMBCEFP-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.66
Rot. Bonds6

About 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole

1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole (PubChem CID 5250385) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole.

Molecular Properties

Compound Name1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole
PubChem CID5250385
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole
SMILESc1cnn(C(CC(n2cccn2)n2cccn2)n2cccn2)c1
InChIInChI=1S/C15H16N8/c1-5-16-20(9-1)14(21-10-2-6-17-21)13-15(22-11-3-7-18-22)23-12-4-8-19-23/h1-12,14-15H,13H2
InChIKeyUPYYMRCIMBCEFP-UHFFFAOYSA-N
XLogP1.66
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole 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-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole?
The IUPAC name of 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole (CID 5250385) is 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole.
What is the SMILES notation for 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole?
The canonical SMILES for 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole is c1cnn(C(CC(n2cccn2)n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole?
The InChIKey is UPYYMRCIMBCEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-5-16-20(9-1)14(21-10-2-6-17-21)13-15(22-11-3-7-18-22)23-12-4-8-19-23/h1-12,14-15H,13H2.
What are the key properties of 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole?
1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole has a molecular weight of 308.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3,3-tri(pyrazol-1-yl)propyl]pyrazole is sourced from PubChem (CID 5250385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).