2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol

C5H9FN4O — CID 66770044

IUPAC2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol
SMILESNc1c(F)nn(CCO)c1N
InChIInChI=1S/C5H9FN4O/c6-4-3(7)5(8)10(9-4)1-2-11/h11H,1-2,7-8H2
InChIKeyDNYMKPSPPVDREO-UHFFFAOYSA-N
MW160.15 g/mol
LogP-0.82
Rot. Bonds2

About 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol

2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol (PubChem CID 66770044) has the molecular formula C5H9FN4O and a molecular weight of 160.15 g/mol. Its IUPAC name is 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol
PubChem CID66770044
Molecular FormulaC5H9FN4O
Molecular Weight160.15 g/mol
Exact Mass160.08
IUPAC Name2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol
SMILESNc1c(F)nn(CCO)c1N
InChIInChI=1S/C5H9FN4O/c6-4-3(7)5(8)10(9-4)1-2-11/h11H,1-2,7-8H2
InChIKeyDNYMKPSPPVDREO-UHFFFAOYSA-N
XLogP-0.82
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-diamino-3-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-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol?
The IUPAC name of 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol (CID 66770044) is 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol is Nc1c(F)nn(CCO)c1N.
What is the InChIKey of 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol?
The InChIKey is DNYMKPSPPVDREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4O/c6-4-3(7)5(8)10(9-4)1-2-11/h11H,1-2,7-8H2.
What are the key properties of 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol?
2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol has a molecular weight of 160.15 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diamino-3-fluoropyrazol-1-yl)ethanol is sourced from PubChem (CID 66770044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).