N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine

C15H19N3O — CID 62771844

IUPACN-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine
SMILESCNC1CCOCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H19N3O/c1-16-14-7-8-19-11-15(14)18-10-13(9-17-18)12-5-3-2-4-6-12/h2-6,9-10,14-16H,7-8,11H2,1H3
InChIKeyMQLXJRYQYJPOHN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.10
Rot. Bonds3

About N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine

N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine (PubChem CID 62771844) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine
PubChem CID62771844
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine
SMILESCNC1CCOCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H19N3O/c1-16-14-7-8-19-11-15(14)18-10-13(9-17-18)12-5-3-2-4-6-12/h2-6,9-10,14-16H,7-8,11H2,1H3
InChIKeyMQLXJRYQYJPOHN-UHFFFAOYSA-N
XLogP2.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine?
The IUPAC name of N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine (CID 62771844) is N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine?
The canonical SMILES for N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine is CNC1CCOCC1n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine?
The InChIKey is MQLXJRYQYJPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-14-7-8-19-11-15(14)18-10-13(9-17-18)12-5-3-2-4-6-12/h2-6,9-10,14-16H,7-8,11H2,1H3.
What are the key properties of N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine?
N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-phenylpyrazol-1-yl)oxan-4-amine is sourced from PubChem (CID 62771844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).