5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine

C10H16N6 — CID 174853932

IUPAC5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine
SMILESCC(CCC1=CC(N)(N)N=N1)n1ccnc1
InChIInChI=1S/C10H16N6/c1-8(16-5-4-13-7-16)2-3-9-6-10(11,12)15-14-9/h4-8H,2-3,11-12H2,1H3
InChIKeyIASHNKBROOKFJT-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.15
Rot. Bonds4

About 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine

5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine (PubChem CID 174853932) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine.

Molecular Properties

Compound Name5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine
PubChem CID174853932
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine
SMILESCC(CCC1=CC(N)(N)N=N1)n1ccnc1
InChIInChI=1S/C10H16N6/c1-8(16-5-4-13-7-16)2-3-9-6-10(11,12)15-14-9/h4-8H,2-3,11-12H2,1H3
InChIKeyIASHNKBROOKFJT-UHFFFAOYSA-N
XLogP1.15
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-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 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine?
The IUPAC name of 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine (CID 174853932) is 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine.
What is the SMILES notation for 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine?
The canonical SMILES for 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine is CC(CCC1=CC(N)(N)N=N1)n1ccnc1.
What is the InChIKey of 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine?
The InChIKey is IASHNKBROOKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-8(16-5-4-13-7-16)2-3-9-6-10(11,12)15-14-9/h4-8H,2-3,11-12H2,1H3.
What are the key properties of 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine?
5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylbutyl)pyrazole-3,3-diamine is sourced from PubChem (CID 174853932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).