[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine

C9H14FN3O — CID 115021653

IUPAC[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(C2CCOCC2)c1F
InChIInChI=1S/C9H14FN3O/c10-9-7(5-11)6-12-13(9)8-1-3-14-4-2-8/h6,8H,1-5,11H2
InChIKeySZWNKANQFBCNPF-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.83
Rot. Bonds2

About [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine

[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine (PubChem CID 115021653) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
PubChem CID115021653
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(C2CCOCC2)c1F
InChIInChI=1S/C9H14FN3O/c10-9-7(5-11)6-12-13(9)8-1-3-14-4-2-8/h6,8H,1-5,11H2
InChIKeySZWNKANQFBCNPF-UHFFFAOYSA-N
XLogP0.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine (CID 115021653) is [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine is NCc1cnn(C2CCOCC2)c1F.
What is the InChIKey of [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine?
The InChIKey is SZWNKANQFBCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c10-9-7(5-11)6-12-13(9)8-1-3-14-4-2-8/h6,8H,1-5,11H2.
What are the key properties of [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine?
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine has a molecular weight of 199.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 115021653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).