(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C15H25N3O — CID 167196329

IUPAC(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OC[C@]12CCCN1[C@@H](Cn1cccn1)CC2
InChIInChI=1S/C15H25N3O/c1-13(2)19-12-15-6-3-10-18(15)14(5-7-15)11-17-9-4-8-16-17/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyGPILWCRIPXTRGB-HUUCEWRRSA-N
MW263.38 g/mol
LogP2.31
Rot. Bonds5

About (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine

(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 167196329) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID167196329
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OC[C@]12CCCN1[C@@H](Cn1cccn1)CC2
InChIInChI=1S/C15H25N3O/c1-13(2)19-12-15-6-3-10-18(15)14(5-7-15)11-17-9-4-8-16-17/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyGPILWCRIPXTRGB-HUUCEWRRSA-N
XLogP2.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 167196329) is (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OC[C@]12CCCN1[C@@H](Cn1cccn1)CC2.
What is the InChIKey of (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is GPILWCRIPXTRGB-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)19-12-15-6-3-10-18(15)14(5-7-15)11-17-9-4-8-16-17/h4,8-9,13-14H,3,5-7,10-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 263.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 167196329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).