[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C15H21N3O2 — CID 124830226

IUPAC[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)n[nH]1
InChIInChI=1S/C15H21N3O2/c1-7(2)11-5-12(17-16-11)15(20)18-6-9-3-8-4-10(9)13(18)14(8)19/h5,7-10,13-14,19H,3-4,6H2,1-2H3,(H,16,17)/t8-,9-,10+,13+,14+/m0/s1
InChIKeyHGXBCTLYOYRXGM-XSYNQRDESA-N
MW275.35 g/mol
LogP1.37
Rot. Bonds2

About [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 124830226) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID124830226
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)n[nH]1
InChIInChI=1S/C15H21N3O2/c1-7(2)11-5-12(17-16-11)15(20)18-6-9-3-8-4-10(9)13(18)14(8)19/h5,7-10,13-14,19H,3-4,6H2,1-2H3,(H,16,17)/t8-,9-,10+,13+,14+/m0/s1
InChIKeyHGXBCTLYOYRXGM-XSYNQRDESA-N
XLogP1.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 124830226) is [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)n[nH]1.
What is the InChIKey of [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is HGXBCTLYOYRXGM-XSYNQRDESA-N. The full InChI is InChI=1S/C15H21N3O2/c1-7(2)11-5-12(17-16-11)15(20)18-6-9-3-8-4-10(9)13(18)14(8)19/h5,7-10,13-14,19H,3-4,6H2,1-2H3,(H,16,17)/t8-,9-,10+,13+,14+/m0/s1.
What are the key properties of [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 124830226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).