1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine

C9H14FN3O — CID 90010341

IUPAC1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCOCC2F)cc1N
InChIInChI=1S/C9H14FN3O/c1-6-8(11)4-13(12-6)9-2-3-14-5-7(9)10/h4,7,9H,2-3,5,11H2,1H3
InChIKeyPJPRAFHSGHSKBA-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.07
Rot. Bonds1

About 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine

1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine (PubChem CID 90010341) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine
PubChem CID90010341
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine
SMILESCc1nn(C2CCOCC2F)cc1N
InChIInChI=1S/C9H14FN3O/c1-6-8(11)4-13(12-6)9-2-3-14-5-7(9)10/h4,7,9H,2-3,5,11H2,1H3
InChIKeyPJPRAFHSGHSKBA-UHFFFAOYSA-N
XLogP1.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine (CID 90010341) is 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine is Cc1nn(C2CCOCC2F)cc1N.
What is the InChIKey of 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine?
The InChIKey is PJPRAFHSGHSKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6-8(11)4-13(12-6)9-2-3-14-5-7(9)10/h4,7,9H,2-3,5,11H2,1H3.
What are the key properties of 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine?
1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine has a molecular weight of 199.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxan-4-yl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 90010341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).