4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine

C7H15N4+ — CID 59731476

IUPAC4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine
SMILESCn1c(N)c(CCN)c[n+]1C
InChIInChI=1S/C7H14N4/c1-10-5-6(3-4-8)7(9)11(10)2/h5,9H,3-4,8H2,1-2H3/p+1
InChIKeyDNBBVPOELCXESW-UHFFFAOYSA-O
MW155.22 g/mol
LogP-1.07
Rot. Bonds2

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

4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine (PubChem CID 59731476) has the molecular formula C7H15N4+ and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine
PubChem CID59731476
Molecular FormulaC7H15N4+
Molecular Weight155.22 g/mol
Exact Mass155.13
IUPAC Name4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine
SMILESCn1c(N)c(CCN)c[n+]1C
InChIInChI=1S/C7H14N4/c1-10-5-6(3-4-8)7(9)11(10)2/h5,9H,3-4,8H2,1-2H3/p+1
InChIKeyDNBBVPOELCXESW-UHFFFAOYSA-O
XLogP-1.07
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-1.07
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

1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
1-Ethyl-4-methyl-1H-pyrazol-5-amine
CID 22456658
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
2-(3-amino-4-methyl-1H-pyrazol-1-yl)acetonitrile
CID 45602183
2-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 61792993
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255
2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine hydrochloride
CID 72206834

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The IUPAC name of 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine (CID 59731476) is 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine is Cn1c(N)c(CCN)c[n+]1C.
What is the InChIKey of 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine?
The InChIKey is DNBBVPOELCXESW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N4/c1-10-5-6(3-4-8)7(9)11(10)2/h5,9H,3-4,8H2,1-2H3/p+1.
What are the key properties of 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine?
4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine has a molecular weight of 155.22 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine is sourced from PubChem (CID 59731476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).