2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol

C13H26N6O — CID 59117823

IUPAC2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol
SMILESCc1nn(C)c(NCCCN2CCN(CCO)C2)c1N
InChIInChI=1S/C13H26N6O/c1-11-12(14)13(17(2)16-11)15-4-3-5-18-6-7-19(10-18)8-9-20/h15,20H,3-10,14H2,1-2H3
InChIKeyPSCBUNGYUZGPKJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.32
Rot. Bonds7

About 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol

2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol (PubChem CID 59117823) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol
PubChem CID59117823
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol
SMILESCc1nn(C)c(NCCCN2CCN(CCO)C2)c1N
InChIInChI=1S/C13H26N6O/c1-11-12(14)13(17(2)16-11)15-4-3-5-18-6-7-19(10-18)8-9-20/h15,20H,3-10,14H2,1-2H3
InChIKeyPSCBUNGYUZGPKJ-UHFFFAOYSA-N
XLogP-0.32
TPSA82.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol (CID 59117823) is 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol is Cc1nn(C)c(NCCCN2CCN(CCO)C2)c1N.
What is the InChIKey of 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol?
The InChIKey is PSCBUNGYUZGPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-11-12(14)13(17(2)16-11)15-4-3-5-18-6-7-19(10-18)8-9-20/h15,20H,3-10,14H2,1-2H3.
What are the key properties of 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol?
2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol has a molecular weight of 282.39 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol is sourced from PubChem (CID 59117823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).