N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine

C15H24N4O — CID 128887292

IUPACN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCn1cc([C@@H]2OCC[C@H]2NC2CC3CCC(C2)N3)cn1
InChIInChI=1S/C15H24N4O/c1-19-9-10(8-16-19)15-14(4-5-20-15)18-13-6-11-2-3-12(7-13)17-11/h8-9,11-15,17-18H,2-7H2,1H3/t11?,12?,13?,14-,15+/m1/s1
InChIKeyPSZLLBOAIBVWRV-MHNMUBMRSA-N
MW276.38 g/mol
LogP1.12
Rot. Bonds3

About N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine

N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 128887292) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID128887292
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCn1cc([C@@H]2OCC[C@H]2NC2CC3CCC(C2)N3)cn1
InChIInChI=1S/C15H24N4O/c1-19-9-10(8-16-19)15-14(4-5-20-15)18-13-6-11-2-3-12(7-13)17-11/h8-9,11-15,17-18H,2-7H2,1H3/t11?,12?,13?,14-,15+/m1/s1
InChIKeyPSZLLBOAIBVWRV-MHNMUBMRSA-N
XLogP1.12
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine (CID 128887292) is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine is Cn1cc([C@@H]2OCC[C@H]2NC2CC3CCC(C2)N3)cn1.
What is the InChIKey of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PSZLLBOAIBVWRV-MHNMUBMRSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-9-10(8-16-19)15-14(4-5-20-15)18-13-6-11-2-3-12(7-13)17-11/h8-9,11-15,17-18H,2-7H2,1H3/t11?,12?,13?,14-,15+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 128887292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).