2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol

C7H13N3O — CID 82595634

IUPAC2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol
SMILESCc1cn(C)nc1C(N)CO
InChIInChI=1S/C7H13N3O/c1-5-3-10(2)9-7(5)6(8)4-11/h3,6,11H,4,8H2,1-2H3
InChIKeyGBWAAUCOSRDKHO-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.28
Rot. Bonds2

About 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol

2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol (PubChem CID 82595634) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol
PubChem CID82595634
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol
SMILESCc1cn(C)nc1C(N)CO
InChIInChI=1S/C7H13N3O/c1-5-3-10(2)9-7(5)6(8)4-11/h3,6,11H,4,8H2,1-2H3
InChIKeyGBWAAUCOSRDKHO-UHFFFAOYSA-N
XLogP-0.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol (CID 82595634) is 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol is Cc1cn(C)nc1C(N)CO.
What is the InChIKey of 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol?
The InChIKey is GBWAAUCOSRDKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-3-10(2)9-7(5)6(8)4-11/h3,6,11H,4,8H2,1-2H3.
What are the key properties of 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol?
2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,4-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82595634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).