(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine

C15H24FN3O — CID 162477854

IUPAC(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
SMILESCc1c(C(C)C)cnn1[C@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C15H24FN3O/c1-10(2)13-6-17-19(11(13)3)15-4-5-18(7-14(15)16)12-8-20-9-12/h6,10,12,14-15H,4-5,7-9H2,1-3H3/t14-,15-/m0/s1
InChIKeyOWEZCCUCFCXDIA-GJZGRUSLSA-N
MW281.37 g/mol
LogP2.30
Rot. Bonds3

About (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine

(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine (PubChem CID 162477854) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
PubChem CID162477854
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
SMILESCc1c(C(C)C)cnn1[C@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C15H24FN3O/c1-10(2)13-6-17-19(11(13)3)15-4-5-18(7-14(15)16)12-8-20-9-12/h6,10,12,14-15H,4-5,7-9H2,1-3H3/t14-,15-/m0/s1
InChIKeyOWEZCCUCFCXDIA-GJZGRUSLSA-N
XLogP2.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine (CID 162477854) is (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine is Cc1c(C(C)C)cnn1[C@H]1CCN(C2COC2)C[C@@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The InChIKey is OWEZCCUCFCXDIA-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-10(2)13-6-17-19(11(13)3)15-4-5-18(7-14(15)16)12-8-20-9-12/h6,10,12,14-15H,4-5,7-9H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
(3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine has a molecular weight of 281.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-(5-methyl-4-propan-2-ylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 162477854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).