3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C15H28N8 — CID 123541478

IUPAC3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H28N8/c1-12-10-15(20-19-12)18-13(16)11-14(17)23-8-6-22(7-9-23)5-4-21(2)3/h10,17H,4-9,11H2,1-3H3,(H3,16,18,19,20)/b17-14+
InChIKeyUEUGDIHLKZQMMK-SAPNQHFASA-N
MW320.44 g/mol
LogP0.25
Rot. Bonds6

About 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123541478) has the molecular formula C15H28N8 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123541478
Molecular FormulaC15H28N8
Molecular Weight320.44 g/mol
Exact Mass320.24
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H28N8/c1-12-10-15(20-19-12)18-13(16)11-14(17)23-8-6-22(7-9-23)5-4-21(2)3/h10,17H,4-9,11H2,1-3H3,(H3,16,18,19,20)/b17-14+
InChIKeyUEUGDIHLKZQMMK-SAPNQHFASA-N
XLogP0.25
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 123541478) is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is UEUGDIHLKZQMMK-SAPNQHFASA-N. The full InChI is InChI=1S/C15H28N8/c1-12-10-15(20-19-12)18-13(16)11-14(17)23-8-6-22(7-9-23)5-4-21(2)3/h10,17H,4-9,11H2,1-3H3,(H3,16,18,19,20)/b17-14+.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 320.44 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123541478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).