N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine

C15H25N3O2 — CID 128980719

IUPACN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1NC1CCCOC1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-14(5-7-16-18)15-13(6-9-20-15)17-12-4-3-8-19-10-12/h5,7,11-13,15,17H,3-4,6,8-10H2,1-2H3/t12?,13-,15-/m0/s1
InChIKeyDEFFXNRBBPTXAW-MHEXWIEDSA-N
MW279.38 g/mol
LogP2.06
Rot. Bonds4

About N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine

N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine (PubChem CID 128980719) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine
PubChem CID128980719
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1NC1CCCOC1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-14(5-7-16-18)15-13(6-9-20-15)17-12-4-3-8-19-10-12/h5,7,11-13,15,17H,3-4,6,8-10H2,1-2H3/t12?,13-,15-/m0/s1
InChIKeyDEFFXNRBBPTXAW-MHEXWIEDSA-N
XLogP2.06
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine?
The IUPAC name of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine (CID 128980719) is N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine.
What is the SMILES notation for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine?
The canonical SMILES for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine is CC(C)n1nccc1[C@H]1OCC[C@@H]1NC1CCCOC1.
What is the InChIKey of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine?
The InChIKey is DEFFXNRBBPTXAW-MHEXWIEDSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)18-14(5-7-16-18)15-13(6-9-20-15)17-12-4-3-8-19-10-12/h5,7,11-13,15,17H,3-4,6,8-10H2,1-2H3/t12?,13-,15-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine?
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine has a molecular weight of 279.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine is sourced from PubChem (CID 128980719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).