1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine

C13H21FN4O — CID 118288955

IUPAC1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CCN(C2COC2)CC1(C)F
InChIInChI=1S/C13H21FN4O/c1-9-11(15)5-16-18(9)12-3-4-17(8-13(12,2)14)10-6-19-7-10/h5,10,12H,3-4,6-8,15H2,1-2H3
InChIKeySUYHHVMGHDNLKB-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.15
Rot. Bonds2

About 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine

1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine (PubChem CID 118288955) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
PubChem CID118288955
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CCN(C2COC2)CC1(C)F
InChIInChI=1S/C13H21FN4O/c1-9-11(15)5-16-18(9)12-3-4-17(8-13(12,2)14)10-6-19-7-10/h5,10,12H,3-4,6-8,15H2,1-2H3
InChIKeySUYHHVMGHDNLKB-UHFFFAOYSA-N
XLogP1.15
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine (CID 118288955) is 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1C1CCN(C2COC2)CC1(C)F.
What is the InChIKey of 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The InChIKey is SUYHHVMGHDNLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-9-11(15)5-16-18(9)12-3-4-17(8-13(12,2)14)10-6-19-7-10/h5,10,12H,3-4,6-8,15H2,1-2H3.
What are the key properties of 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine?
1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine has a molecular weight of 268.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 118288955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).