4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine

C8H17N4+ — CID 59731826

IUPAC4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
SMILESCn1c(N)c(CCCN)c[n+]1C
InChIInChI=1S/C8H16N4/c1-11-6-7(4-3-5-9)8(10)12(11)2/h6,10H,3-5,9H2,1-2H3/p+1
InChIKeyWZOHTUGEICVZBX-UHFFFAOYSA-O
MW169.25 g/mol
LogP-0.68
Rot. Bonds3

About 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine

4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine (PubChem CID 59731826) has the molecular formula C8H17N4+ and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
PubChem CID59731826
Molecular FormulaC8H17N4+
Molecular Weight169.25 g/mol
Exact Mass169.14
IUPAC Name4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
SMILESCn1c(N)c(CCCN)c[n+]1C
InChIInChI=1S/C8H16N4/c1-11-6-7(4-3-5-9)8(10)12(11)2/h6,10H,3-5,9H2,1-2H3/p+1
InChIKeyWZOHTUGEICVZBX-UHFFFAOYSA-O
XLogP-0.68
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 135966088
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
1-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 84107341
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 90482959
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine (CID 59731826) is 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine is Cn1c(N)c(CCCN)c[n+]1C.
What is the InChIKey of 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The InChIKey is WZOHTUGEICVZBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N4/c1-11-6-7(4-3-5-9)8(10)12(11)2/h6,10H,3-5,9H2,1-2H3/p+1.
What are the key properties of 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine?
4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine has a molecular weight of 169.25 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine is sourced from PubChem (CID 59731826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).