7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine

C16H19N3O — CID 107330627

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccnn1-c1ccccc1)C1CC2CCC1O2
InChIInChI=1S/C16H19N3O/c17-16(13-10-12-6-7-15(13)20-12)14-8-9-18-19(14)11-4-2-1-3-5-11/h1-5,8-9,12-13,15-16H,6-7,10,17H2
InChIKeyYUQRDWXYNALXGS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.44
Rot. Bonds3

About 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine

7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107330627) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107330627
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccnn1-c1ccccc1)C1CC2CCC1O2
InChIInChI=1S/C16H19N3O/c17-16(13-10-12-6-7-15(13)20-12)14-8-9-18-19(14)11-4-2-1-3-5-11/h1-5,8-9,12-13,15-16H,6-7,10,17H2
InChIKeyYUQRDWXYNALXGS-UHFFFAOYSA-N
XLogP2.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine (CID 107330627) is 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine is NC(c1ccnn1-c1ccccc1)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is YUQRDWXYNALXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-16(13-10-12-6-7-15(13)20-12)14-8-9-18-19(14)11-4-2-1-3-5-11/h1-5,8-9,12-13,15-16H,6-7,10,17H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine?
7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107330627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).