5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine

C13H21FN4O — CID 118288855

IUPAC5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
SMILESCCc1c(N)cnn1C1CCN(C2COC2)CC1F
InChIInChI=1S/C13H21FN4O/c1-2-12-11(15)5-16-18(12)13-3-4-17(6-10(13)14)9-7-19-8-9/h5,9-10,13H,2-4,6-8,15H2,1H3
InChIKeyDHCIETCURKSTIE-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.01
Rot. Bonds3

About 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine

5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine (PubChem CID 118288855) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
PubChem CID118288855
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine
SMILESCCc1c(N)cnn1C1CCN(C2COC2)CC1F
InChIInChI=1S/C13H21FN4O/c1-2-12-11(15)5-16-18(12)13-3-4-17(6-10(13)14)9-7-19-8-9/h5,9-10,13H,2-4,6-8,15H2,1H3
InChIKeyDHCIETCURKSTIE-UHFFFAOYSA-N
XLogP1.01
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The IUPAC name of 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine (CID 118288855) is 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The canonical SMILES for 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine is CCc1c(N)cnn1C1CCN(C2COC2)CC1F.
What is the InChIKey of 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
The InChIKey is DHCIETCURKSTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-2-12-11(15)5-16-18(12)13-3-4-17(6-10(13)14)9-7-19-8-9/h5,9-10,13H,2-4,6-8,15H2,1H3.
What are the key properties of 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine?
5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine has a molecular weight of 268.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-amine is sourced from PubChem (CID 118288855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).