N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine

C14H20N6 — CID 59363906

IUPACN,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine
SMILESc1c(NCCNc2cc(C3CC3)[nH]n2)n[nH]c1C1CC1
InChIInChI=1S/C14H20N6/c1-2-9(1)11-7-13(19-17-11)15-5-6-16-14-8-12(18-20-14)10-3-4-10/h7-10H,1-6H2,(H2,15,17,19)(H2,16,18,20)
InChIKeyHJUCSDJXAMWQBF-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.41
Rot. Bonds7

About N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine

N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine (PubChem CID 59363906) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine
PubChem CID59363906
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine
SMILESc1c(NCCNc2cc(C3CC3)[nH]n2)n[nH]c1C1CC1
InChIInChI=1S/C14H20N6/c1-2-9(1)11-7-13(19-17-11)15-5-6-16-14-8-12(18-20-14)10-3-4-10/h7-10H,1-6H2,(H2,15,17,19)(H2,16,18,20)
InChIKeyHJUCSDJXAMWQBF-UHFFFAOYSA-N
XLogP2.41
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(5-cyclopropyl-1H-pyrazol-3-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,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine (CID 59363906) is N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine is c1c(NCCNc2cc(C3CC3)[nH]n2)n[nH]c1C1CC1.
What is the InChIKey of N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
The InChIKey is HJUCSDJXAMWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-9(1)11-7-13(19-17-11)15-5-6-16-14-8-12(18-20-14)10-3-4-10/h7-10H,1-6H2,(H2,15,17,19)(H2,16,18,20).
What are the key properties of N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine?
N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 59363906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).