N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine

C11H22N4 — CID 107444839

IUPACN'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESCc1n[nH]c(C)c1NCCNC(C)(C)C
InChIInChI=1S/C11H22N4/c1-8-10(9(2)15-14-8)12-6-7-13-11(3,4)5/h12-13H,6-7H2,1-5H3,(H,14,15)
InChIKeyLVBDJKZSVVJWAO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.83
Rot. Bonds4

About N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine

N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine (PubChem CID 107444839) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine
PubChem CID107444839
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine
SMILESCc1n[nH]c(C)c1NCCNC(C)(C)C
InChIInChI=1S/C11H22N4/c1-8-10(9(2)15-14-8)12-6-7-13-11(3,4)5/h12-13H,6-7H2,1-5H3,(H,14,15)
InChIKeyLVBDJKZSVVJWAO-UHFFFAOYSA-N
XLogP1.83
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)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'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine (CID 107444839) is N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine is Cc1n[nH]c(C)c1NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is LVBDJKZSVVJWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8-10(9(2)15-14-8)12-6-7-13-11(3,4)5/h12-13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 107444839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).