4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine

C8H10FN3O — CID 165499258

IUPAC4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C23COCC2C3)c1F
InChIInChI=1S/C8H10FN3O/c9-5-6(11-12-7(5)10)8-1-4(8)2-13-3-8/h4H,1-3H2,(H3,10,11,12)
InChIKeyZTFFRZWEPVAVBX-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.42
Rot. Bonds1

About 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine

4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine (PubChem CID 165499258) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine
PubChem CID165499258
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C23COCC2C3)c1F
InChIInChI=1S/C8H10FN3O/c9-5-6(11-12-7(5)10)8-1-4(8)2-13-3-8/h4H,1-3H2,(H3,10,11,12)
InChIKeyZTFFRZWEPVAVBX-UHFFFAOYSA-N
XLogP0.42
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine (CID 165499258) is 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(C23COCC2C3)c1F.
What is the InChIKey of 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine?
The InChIKey is ZTFFRZWEPVAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-5-6(11-12-7(5)10)8-1-4(8)2-13-3-8/h4H,1-3H2,(H3,10,11,12).
What are the key properties of 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine?
4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine has a molecular weight of 183.19 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(3-oxabicyclo[3.1.0]hexan-1-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 165499258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).