N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine

C13H15FN4O — CID 67991738

IUPACN-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine
SMILESFc1ccc(-c2ccn(CCNC3COC3)n2)nc1
InChIInChI=1S/C13H15FN4O/c14-10-1-2-12(16-7-10)13-3-5-18(17-13)6-4-15-11-8-19-9-11/h1-3,5,7,11,15H,4,6,8-9H2
InChIKeySXVASUSCKZGMBR-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.07
Rot. Bonds5

About N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine

N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine (PubChem CID 67991738) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine
PubChem CID67991738
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine
SMILESFc1ccc(-c2ccn(CCNC3COC3)n2)nc1
InChIInChI=1S/C13H15FN4O/c14-10-1-2-12(16-7-10)13-3-5-18(17-13)6-4-15-11-8-19-9-11/h1-3,5,7,11,15H,4,6,8-9H2
InChIKeySXVASUSCKZGMBR-UHFFFAOYSA-N
XLogP1.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine?
The IUPAC name of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine (CID 67991738) is N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine.
What is the SMILES notation for N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine?
The canonical SMILES for N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine is Fc1ccc(-c2ccn(CCNC3COC3)n2)nc1.
What is the InChIKey of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine?
The InChIKey is SXVASUSCKZGMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-10-1-2-12(16-7-10)13-3-5-18(17-13)6-4-15-11-8-19-9-11/h1-3,5,7,11,15H,4,6,8-9H2.
What are the key properties of N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine?
N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine has a molecular weight of 262.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]oxetan-3-amine is sourced from PubChem (CID 67991738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).