2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol

C9H14FN3O — CID 165492653

IUPAC2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol
SMILESNc1c(F)c(C2CCC2)nn1CCO
InChIInChI=1S/C9H14FN3O/c10-7-8(6-2-1-3-6)12-13(4-5-14)9(7)11/h6,14H,1-5,11H2
InChIKeyHSAVYNVDLREEKN-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.86
Rot. Bonds3

About 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol

2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol (PubChem CID 165492653) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol
PubChem CID165492653
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol
SMILESNc1c(F)c(C2CCC2)nn1CCO
InChIInChI=1S/C9H14FN3O/c10-7-8(6-2-1-3-6)12-13(4-5-14)9(7)11/h6,14H,1-5,11H2
InChIKeyHSAVYNVDLREEKN-UHFFFAOYSA-N
XLogP0.86
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol (CID 165492653) is 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol is Nc1c(F)c(C2CCC2)nn1CCO.
What is the InChIKey of 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol?
The InChIKey is HSAVYNVDLREEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c10-7-8(6-2-1-3-6)12-13(4-5-14)9(7)11/h6,14H,1-5,11H2.
What are the key properties of 2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol?
2-(5-amino-3-cyclobutyl-4-fluoropyrazol-1-yl)ethanol has a molecular weight of 199.23 g/mol, XLogP of 0.86, 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-cyclobutyl-4-fluoropyrazol-1-yl)ethanol is sourced from PubChem (CID 165492653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).