N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

C6H12N4 — CID 70458454

IUPACN'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cn[nH]c1
InChIInChI=1S/C6H12N4/c7-1-2-8-3-6-4-9-10-5-6/h4-5,8H,1-3,7H2,(H,9,10)
InChIKeyXZQRWODMBUTSKZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.54
Rot. Bonds4

About N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 70458454) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID70458454
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cn[nH]c1
InChIInChI=1S/C6H12N4/c7-1-2-8-3-6-4-9-10-5-6/h4-5,8H,1-3,7H2,(H,9,10)
InChIKeyXZQRWODMBUTSKZ-UHFFFAOYSA-N
XLogP-0.54
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine 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 N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (CID 70458454) is N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is NCCNCc1cn[nH]c1.
What is the InChIKey of N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is XZQRWODMBUTSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-1-2-8-3-6-4-9-10-5-6/h4-5,8H,1-3,7H2,(H,9,10).
What are the key properties of N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 70458454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).