2,2-di(pyrazol-1-yl)ethanamine

C8H11N5 — CID 68529237

IUPAC2,2-di(pyrazol-1-yl)ethanamine
SMILESNCC(n1cccn1)n1cccn1
InChIInChI=1S/C8H11N5/c9-7-8(12-5-1-3-10-12)13-6-2-4-11-13/h1-6,8H,7,9H2
InChIKeyPFBKJCSJBZOEJW-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.09
Rot. Bonds3

About 2,2-di(pyrazol-1-yl)ethanamine

2,2-di(pyrazol-1-yl)ethanamine (PubChem CID 68529237) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,2-di(pyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2,2-di(pyrazol-1-yl)ethanamine
PubChem CID68529237
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2,2-di(pyrazol-1-yl)ethanamine
SMILESNCC(n1cccn1)n1cccn1
InChIInChI=1S/C8H11N5/c9-7-8(12-5-1-3-10-12)13-6-2-4-11-13/h1-6,8H,7,9H2
InChIKeyPFBKJCSJBZOEJW-UHFFFAOYSA-N
XLogP0.09
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-di(pyrazol-1-yl)ethanamine 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 2,2-di(pyrazol-1-yl)ethanamine?
The IUPAC name of 2,2-di(pyrazol-1-yl)ethanamine (CID 68529237) is 2,2-di(pyrazol-1-yl)ethanamine.
What is the SMILES notation for 2,2-di(pyrazol-1-yl)ethanamine?
The canonical SMILES for 2,2-di(pyrazol-1-yl)ethanamine is NCC(n1cccn1)n1cccn1.
What is the InChIKey of 2,2-di(pyrazol-1-yl)ethanamine?
The InChIKey is PFBKJCSJBZOEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-7-8(12-5-1-3-10-12)13-6-2-4-11-13/h1-6,8H,7,9H2.
What are the key properties of 2,2-di(pyrazol-1-yl)ethanamine?
2,2-di(pyrazol-1-yl)ethanamine has a molecular weight of 177.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(pyrazol-1-yl)ethanamine is sourced from PubChem (CID 68529237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).