2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol

C7H12FN3O — CID 84654620

IUPAC2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol
SMILESNC(CO)c1ccnn1CCF
InChIInChI=1S/C7H12FN3O/c8-2-4-11-7(1-3-10-11)6(9)5-12/h1,3,6,12H,2,4-5,9H2
InChIKeyQDTNBAKWAKGMRG-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.16
Rot. Bonds4

About 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol

2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol (PubChem CID 84654620) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol
PubChem CID84654620
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol
SMILESNC(CO)c1ccnn1CCF
InChIInChI=1S/C7H12FN3O/c8-2-4-11-7(1-3-10-11)6(9)5-12/h1,3,6,12H,2,4-5,9H2
InChIKeyQDTNBAKWAKGMRG-UHFFFAOYSA-N
XLogP-0.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol (CID 84654620) is 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol is NC(CO)c1ccnn1CCF.
What is the InChIKey of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol?
The InChIKey is QDTNBAKWAKGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c8-2-4-11-7(1-3-10-11)6(9)5-12/h1,3,6,12H,2,4-5,9H2.
What are the key properties of 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol?
2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol has a molecular weight of 173.19 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-fluoroethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 84654620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).