5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine

C11H17N3O — CID 90292774

IUPAC5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nc(N)cc1C1[C@H]2COC[C@@H]12
InChIInChI=1S/C11H17N3O/c1-6(2)14-9(3-10(12)13-14)11-7-4-15-5-8(7)11/h3,6-8,11H,4-5H2,1-2H3,(H2,12,13)/t7-,8+,11?
InChIKeyHPNOIGGQARGXDX-OQJHAAMPSA-N
MW207.28 g/mol
LogP1.41
Rot. Bonds2

About 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine

5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine (PubChem CID 90292774) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine
PubChem CID90292774
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1nc(N)cc1C1[C@H]2COC[C@@H]12
InChIInChI=1S/C11H17N3O/c1-6(2)14-9(3-10(12)13-14)11-7-4-15-5-8(7)11/h3,6-8,11H,4-5H2,1-2H3,(H2,12,13)/t7-,8+,11?
InChIKeyHPNOIGGQARGXDX-OQJHAAMPSA-N
XLogP1.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine (CID 90292774) is 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine is CC(C)n1nc(N)cc1C1[C@H]2COC[C@@H]12.
What is the InChIKey of 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine?
The InChIKey is HPNOIGGQARGXDX-OQJHAAMPSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6(2)14-9(3-10(12)13-14)11-7-4-15-5-8(7)11/h3,6-8,11H,4-5H2,1-2H3,(H2,12,13)/t7-,8+,11?.
What are the key properties of 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine?
5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 90292774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).