N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine

C11H18FN3O — CID 126857092

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine
SMILESCc1nn(C)cc1CNC1CCCOC1F
InChIInChI=1S/C11H18FN3O/c1-8-9(7-15(2)14-8)6-13-10-4-3-5-16-11(10)12/h7,10-11,13H,3-6H2,1-2H3
InChIKeyOAGBNJGSFMEHDS-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.29
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine (PubChem CID 126857092) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine
PubChem CID126857092
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine
SMILESCc1nn(C)cc1CNC1CCCOC1F
InChIInChI=1S/C11H18FN3O/c1-8-9(7-15(2)14-8)6-13-10-4-3-5-16-11(10)12/h7,10-11,13H,3-6H2,1-2H3
InChIKeyOAGBNJGSFMEHDS-UHFFFAOYSA-N
XLogP1.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine (CID 126857092) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine is Cc1nn(C)cc1CNC1CCCOC1F.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine?
The InChIKey is OAGBNJGSFMEHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-8-9(7-15(2)14-8)6-13-10-4-3-5-16-11(10)12/h7,10-11,13H,3-6H2,1-2H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine has a molecular weight of 227.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorooxan-3-amine is sourced from PubChem (CID 126857092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).