2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane

C10H21N3O — CID 177341984

IUPAC2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane
SMILESCC.CCc1nn(CCO)c(N)c1C
InChIInChI=1S/C8H15N3O.C2H6/c1-3-7-6(2)8(9)11(10-7)4-5-12;1-2/h12H,3-5,9H2,1-2H3;1-2H3
InChIKeyDLUYZFGBFDTQPB-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.35
Rot. Bonds3

About 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane

2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane (PubChem CID 177341984) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane
PubChem CID177341984
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane
SMILESCC.CCc1nn(CCO)c(N)c1C
InChIInChI=1S/C8H15N3O.C2H6/c1-3-7-6(2)8(9)11(10-7)4-5-12;1-2/h12H,3-5,9H2,1-2H3;1-2H3
InChIKeyDLUYZFGBFDTQPB-UHFFFAOYSA-N
XLogP1.35
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane?
The IUPAC name of 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane (CID 177341984) is 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane.
What is the SMILES notation for 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane?
The canonical SMILES for 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane is CC.CCc1nn(CCO)c(N)c1C.
What is the InChIKey of 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane?
The InChIKey is DLUYZFGBFDTQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-3-7-6(2)8(9)11(10-7)4-5-12;1-2/h12H,3-5,9H2,1-2H3;1-2H3.
What are the key properties of 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane?
2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane has a molecular weight of 199.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-ethyl-4-methylpyrazol-1-yl)ethanol;ethane is sourced from PubChem (CID 177341984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).