1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine

C15H28N9+ — CID 140852027

IUPAC1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine
SMILESCCC[n+]1ccn(CCCN)c1/N=N/c1cnn(CCCN)c1N
InChIInChI=1S/C15H27N9/c1-2-7-22-10-11-23(8-3-5-16)15(22)21-20-13-12-19-24(14(13)18)9-4-6-17/h10-12,18H,2-9,16-17H2,1H3/p+1
InChIKeyXABDYCQPRINXAW-UHFFFAOYSA-O
MW334.45 g/mol
LogP1.08
Rot. Bonds10

About 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine

1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine (PubChem CID 140852027) has the molecular formula C15H28N9+ and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine
PubChem CID140852027
Molecular FormulaC15H28N9+
Molecular Weight334.45 g/mol
Exact Mass334.25
IUPAC Name1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine
SMILESCCC[n+]1ccn(CCCN)c1/N=N/c1cnn(CCCN)c1N
InChIInChI=1S/C15H27N9/c1-2-7-22-10-11-23(8-3-5-16)15(22)21-20-13-12-19-24(14(13)18)9-4-6-17/h10-12,18H,2-9,16-17H2,1H3/p+1
InChIKeyXABDYCQPRINXAW-UHFFFAOYSA-O
XLogP1.08
TPSA129.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-1-methylpyrazol-5-amine;2,2,2-trifluoroacetic acid
CID 137284712
tert-butyl 5-[4-[[1-(3-acetamidopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]-5-aminopyrazol-1-yl]pentanoate
CID 158591249
N-[3-[2-[(5-amino-1-butylpyrazol-4-yl)diazenyl]-3-[3-[(2,2,2-trifluoroacetyl)amino]propyl]imidazol-3-ium-1-yl]propyl]-2,2,2-trifluoroacetamide
CID 137284755
3-[2-[(5-amino-1-methylpyrazol-4-yl)diazenyl]-3-(3-azaniumylpropyl)imidazol-1-ium-1-yl]propylazanium;tris(2,2,2-trifluoroacetate)
CID 140852025
[1,3-bis(3-chloropropyl)imidazol-1-ium-2-yl]-(4-hexyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl)diazene
CID 137315374
1,3-bis(3-aminopropyl)imidazol-1-ium-2-amine
CID 142305755
1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 121225750
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
3-[3-(3-aminopropyl)-2-[(3-methoxy-4-pyrrolidin-1-ylphenyl)diazenyl]imidazol-3-ium-1-yl]propan-1-amine
CID 134353355
N'-(3-aminopropyl)-N'-[4-[(1,3-dipentylimidazol-1-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine;tris(2,2,2-trifluoroacetate)
CID 158368004
3-[3-(3-aminopropyl)-2-[(1,4-diethyl-2,3-dihydroquinoxalin-6-yl)diazenyl]imidazol-1-ium-1-yl]propylazanium;bromide;dichloride
CID 158130495
4-[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]-1-methylpyrazol-5-amine;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid)
CID 175900985

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine?
The IUPAC name of 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine (CID 140852027) is 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine?
The canonical SMILES for 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine is CCC[n+]1ccn(CCCN)c1/N=N/c1cnn(CCCN)c1N.
What is the InChIKey of 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine?
The InChIKey is XABDYCQPRINXAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27N9/c1-2-7-22-10-11-23(8-3-5-16)15(22)21-20-13-12-19-24(14(13)18)9-4-6-17/h10-12,18H,2-9,16-17H2,1H3/p+1.
What are the key properties of 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine?
1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine has a molecular weight of 334.45 g/mol, XLogP of 1.08, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-[[1-(3-aminopropyl)-3-propylimidazol-3-ium-2-yl]diazenyl]pyrazol-5-amine is sourced from PubChem (CID 140852027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).