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

C7H14N4O — CID 70039716

IUPAC1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol
SMILESCc1nn(C)c(NC(C)O)c1N
InChIInChI=1S/C7H14N4O/c1-4-6(8)7(9-5(2)12)11(3)10-4/h5,9,12H,8H2,1-3H3
InChIKeyUNVZERQWZINELP-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.06
Rot. Bonds2

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

1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol (PubChem CID 70039716) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol
PubChem CID70039716
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol
SMILESCc1nn(C)c(NC(C)O)c1N
InChIInChI=1S/C7H14N4O/c1-4-6(8)7(9-5(2)12)11(3)10-4/h5,9,12H,8H2,1-3H3
InChIKeyUNVZERQWZINELP-UHFFFAOYSA-N
XLogP0.06
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol?
The IUPAC name of 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol (CID 70039716) is 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol.
What is the SMILES notation for 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol?
The canonical SMILES for 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol is Cc1nn(C)c(NC(C)O)c1N.
What is the InChIKey of 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol?
The InChIKey is UNVZERQWZINELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-4-6(8)7(9-5(2)12)11(3)10-4/h5,9,12H,8H2,1-3H3.
What are the key properties of 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol?
1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol has a molecular weight of 170.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol is sourced from PubChem (CID 70039716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).