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

C7H12FN3O — CID 165499650

IUPAC2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
SMILESCCc1nn(CCO)c(N)c1F
InChIInChI=1S/C7H12FN3O/c1-2-5-6(8)7(9)11(10-5)3-4-12/h12H,2-4,9H2,1H3
InChIKeyHHOWTWNZUMSKMB-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.16
Rot. Bonds3

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

2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol (PubChem CID 165499650) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
PubChem CID165499650
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
SMILESCCc1nn(CCO)c(N)c1F
InChIInChI=1S/C7H12FN3O/c1-2-5-6(8)7(9)11(10-5)3-4-12/h12H,2-4,9H2,1H3
InChIKeyHHOWTWNZUMSKMB-UHFFFAOYSA-N
XLogP0.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.16
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-fluoropyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol (CID 165499650) is 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol is CCc1nn(CCO)c(N)c1F.
What is the InChIKey of 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol?
The InChIKey is HHOWTWNZUMSKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-2-5-6(8)7(9)11(10-5)3-4-12/h12H,2-4,9H2,1H3.
What are the key properties of 2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol?
2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol has a molecular weight of 173.19 g/mol, XLogP of 0.16, 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-fluoropyrazol-1-yl)ethanol is sourced from PubChem (CID 165499650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).