6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C12H18FN3 — CID 176691880

IUPAC6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2C(C1)C2c1c(F)cnn1C
InChIInChI=1S/C12H18FN3/c1-7(2)16-5-8-9(6-16)11(8)12-10(13)4-14-15(12)3/h4,7-9,11H,5-6H2,1-3H3
InChIKeyPLTHWZNISSRJDG-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.61
Rot. Bonds2

About 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 176691880) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID176691880
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2C(C1)C2c1c(F)cnn1C
InChIInChI=1S/C12H18FN3/c1-7(2)16-5-8-9(6-16)11(8)12-10(13)4-14-15(12)3/h4,7-9,11H,5-6H2,1-3H3
InChIKeyPLTHWZNISSRJDG-UHFFFAOYSA-N
XLogP1.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 176691880) is 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)N1CC2C(C1)C2c1c(F)cnn1C.
What is the InChIKey of 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is PLTHWZNISSRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-7(2)16-5-8-9(6-16)11(8)12-10(13)4-14-15(12)3/h4,7-9,11H,5-6H2,1-3H3.
What are the key properties of 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 223.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-1-methylpyrazol-5-yl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 176691880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).